Pac-1 (CAS 315183-21-2): properties, price, suppliers and safety

What is Pac-1?

Plain description, key identifiers and synonyms

Pac-1 is procaspase Activating Compound-1 VO-100 is an orally bioavailable procaspase activating compound-1 (PAC-1), with potential proapoptotic and antineoplastic activities. Upon administration, VO-100 binds to and forms a chelating complex with zinc (Zn) ions inside cells, which prevents the binding of Zn ions to procaspase-3 (PC3) and abrogates the Zn-mediated inhibition of PC3. This allows for the proteolytic autoactivation of PC3 into the active form caspase-3. This results in the selective caspase-3-mediated induction of apoptosis and cell death in cancer cells. In addition, VO-100 is able to cross the blood-brain-barrier (BBB). PC3, a Zn-inhibited proenzyme, is upregulated in a variety of cancer cell types, while its expression is minimal in normal healthy cells.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: 2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CAS number: 315183-21-2 CAS number cross-checkedOther or deprecated CAS: 1044929-62-5
EC number: 636-533-6
Molecular formula: C₂₃H₂₈N₄O₂
UNII: 9LIS8N0B2C
MDL number: MFCD02051977, MFCD03302441
InChIKey: YQNRVGJCPCNMKT-LFVJCYFKSA-N
InChI: InChI=1S/C23H28N4O2/c1-2-7-20-10-6-11-21(23(20)29)16-24-25-22(28)18-27-14-12-26(13-15-27)17-19-8-4-3-5-9-19/h2-6,8-11,16,29H,1,7,12-15,17-18H2,(H,25,28)/b24-16+
Canonical SMILES: C=CCc1cccc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O
Isomeric SMILES: C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O

Synonyms

Procaspase-activating compound 1
1-Piperazineacetic acid, 4-(phenylmethyl)-, ((2-hydroxy-3-(2-propenyl)phenyl)methylene)hydrazide
2-(4-Benzylpiperazin-1-yl)-N-((2-hydroxy-3-prop-2-enyl-phenyl)methylideneamino)acetamide
1-Piperazineacetic acid, 4-(phenylmethyl)-, 2-((2-hydroxy-3-(2-propen-1-yl)phenyl)methylene)hydrazide
2-(4-benzylpiperazin-1-yl)-N'-[(1E)-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene]acetohydrazide
2-(4-benzylpiperazin-1-yl)-N'-((1E)-(2-hydroxy-3-(prop-2-en-1-yl)phenyl)methylidene)acetohydrazide
PAC-1 VO-100
Procaspase Activating Compound-1 VO-100
PAC 1
Procaspase activating compound 1
Procaspase-3 Activator
(E)-N'-(3-allyl-2-hydroxybenzylidene)-2-(4-benzylpiperazin-1-yl)acetohydrazide
4-(Phenylmethyl)-1-piperazineacetic acid [[2-hydroxy-3-(2-propenyl)phenyl]methylene]hydrazide
N'-(3-allyl-2-hydroxybenzylidene)-2-(4-benzylpiperazin-1-yl)acetohydrazide
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
methylene]hydrazide, Procaspase Activating Compound 1
4-(Phenylmethyl)-1-piperazineacetic Acid 2-[[2-Hydroxy-3-(2-propen-1-yl)phenyl]
pac-1?
N'-[(6-oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methyl]-2-[4-(phenylmethyl)-1-piperazinyl]acetohydrazide
Sdccgsbi-0633812.p001
PAC-1, >=98% (HPLC)
PAC-1, 98%, procaspase-3 activatior
N'-[(6-oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methyl]
2-allyl-6-[(E)-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]hydrazono]methyl]phenolate
N'-(3-allyl-2-hydroxybenzylidene)-2-(4-benzylpiperazin-1-yl)acEthanolydrazide

Show all 27 synonyms

2-(4-Benzylpiperazin-1-yl)-N'-{(E)-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene}acetohydrazide
4-(Phenylmethyl)-1-Piperazineacetic Acid-2-[[2-Hydroxy-3-(2-Allyl-1-Yl)Phenyl] Methylene] Hydrazide

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight	392.50 g/molcalc.
Exact mass	392.2212 Dacalc.
LogP (octanol/water)	2.39calc.
Topological polar surface area	68.17 Å²calc.
Hydrogen bond donors	2calc.
Hydrogen bond acceptors	5calc.
Rotatable bonds	8calc.
Heavy atoms	29calc.
Rings	3calc.
Aromatic rings	2calc.
Fraction sp3 carbons	0.3calc.
Formal charge	0calc.
Stereocentres	0calc.
Lipinski rule of five	Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

O=C(CN1CCN(Cc2ccccc2)CC1)NN=Cc1ccccc1

3 rings, 25 atoms.

80 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word

Warning

Harmful or irritant

Hazardous to the environment

Hazard statements

H302Harmful if swallowed.
H315Causes skin irritation.
H319Causes serious eye irritation.
H335May cause respiratory irritation.
H400Very toxic to aquatic life.

Precautionary statements (21)

P261Avoid breathing dust, fume, gas, mist, vapours or spray.
P264Wash skin thoroughly after handling.
P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
P270Do not eat, drink or smoke when using this product.
P271Use only outdoors or in a well-ventilated area.
P273Avoid release to the environment.
P280Wear protective gloves, protective clothing, eye protection and face protection.
P301 + P317If swallowed: Get medical help.
P302 + P352If on skin: Wash with plenty of water.
P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P319Get medical help if you feel unwell.
P321Specific treatment (see supplemental first aid instructions on the label).
P330Rinse mouth.
P332 + P317If skin irritation occurs: Get medical help.
P337 + P317If eye irritation persists: Get medical help.
P362 + P364Take off contaminated clothing. And wash it before reuse.
P391Collect spillage.
P403 + P233Store in a well-ventilated place. Keep container tightly closed.
P405Store locked up.
P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Pac-1 suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 6 suppliers

Verified only6 of 6 offers

Aceschem Inc
United States, FriscoUnclaimed profile
Pac-1Grade, purity and minimum order on request
Price on request
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Axon Medchem
United States, RestonUnclaimed profile
Pac-1Grade, purity and minimum order on request
Price on request
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Excenen Pharmatech Co., Ltd.
China, GuangzhouUnclaimed profile
Pac-1Grade, purity and minimum order on request
Price on request
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Hello Bio
United Kingdom, AvonmouthUnclaimed profile
Pac-1Grade, purity and minimum order on request
Price on request
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LKT Laboratories, Inc.
United States, St. PaulUnclaimed profile
Pac-1Grade, purity and minimum order on request
Price on request
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Interbioscreen d.o.o.
Unclaimed profile
Pac-1Grade, purity and minimum order on request
Price on request
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Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

6 suppliers in 3 countries

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Pac-1 price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Industries and functions

Pharmacology

Procaspase Activating Compound-1 VO-100 is an orally bioavailable procaspase activating compound-1 (PAC-1), with potential proapoptotic and antineoplastic activities. Upon administration, VO-100 binds to and forms a chelating complex with zinc (Zn) ions inside cells, which prevents the binding of Zn ions to procaspase-3 (PC3) and abrogates the Zn-mediated inhibition of PC3. This allows for the proteolytic autoactivation of PC3 into the active form caspase-3. This results in the selective caspase-3-mediated induction of apoptosis and cell death in cancer cells. In addition, VO-100 is able to cross the blood-brain-barrier (BBB). PC3, a Zn-inhibited proenzyme, is upregulated in a variety of cancer cell types, while its expression is minimal in normal healthy cells.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Pac-1 is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024

$18.4B

+10.5% vs 2023, imports $24.8B

2019 to 2024

Top exporters

Ireland43.6%
Switzerland * partner reported26.3%
China7.9%

Top importers

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Pac-1 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Parent and salt forms, stereoisomers, similar structures and isomers

Similar structures

Nearest neighbours by Morgan fingerprint Tanimoto similarity

(E)-2-(4-Benzylpiperazin-1-yl)-N'-(2-hydroxybenzylidene)acetohydrazide chemical structure, C20H24N4O2, CAS 315183-08-5

2-(4-Benzyl-1-piperazinyl)-N'-(1-naphthylmethylene)acetohydrazide chemical structure, C24H26N4O, CAS 315182-73-1

2-(4-Benzyl-1-piperazinyl)-N'-(4-hydroxybenzylidene)acetohydrazide chemical structure, C20H24N4O2, CAS 303107-52-0

2-(4-Benzyl-1-piperazinyl)-N'-(3-hydroxybenzylidene)acetohydrazide chemical structure, C20H24N4O2, CAS 315182-84-4

2-(4-Benzyl-1-piperazinyl)-N'-(2,4-dichlorobenzylidene)acetohydrazide chemical structure, C20H22Cl2N4O, CAS 303107-53-1

Same formula isomers

Different compounds that share this molecular formula

All isomers

2-(4-Benzyl-1-piperazinyl)N'-(3-(2-methoxyphenyl)-2-propenylidene)acetohydrazide chemical structure, C23H28N4O2, CAS 307975-74-2

2-(4-Benzyl-1-piperazinyl)N'-(3-(2-methoxyphenyl)-2-propenylidene)acetohydrazide307975-74-2C₂₃H₂₈N₄O₂

N-[2-(4-Dimethylamino-phenyl)-1-(4-methyl-piperazine-1-carbonyl)-vinyl]-benzamide chemical structure, C23H28N4O2, CAS 332168-21-5

N-[2-(4-Dimethylamino-phenyl)-1-(4-methyl-piperazine-1-carbonyl)-vinyl]-benzamide332168-21-5C₂₃H₂₈N₄O₂

1H-Imidazole, 2,2'-(1,5-pentanediylbis(oxy-4,1-phenylene))bis(4,5-dihydro- chemical structure, C23H28N4O2, CAS 80498-67-5

1H-Imidazole, 2,2'-(1,5-pentanediylbis(oxy-4,1-phenylene))bis(4,5-dihydro-80498-67-5C₂₃H₂₈N₄O₂

N,N-Diphenyl-4-(1-piperidinylcarbonyl)-1-piperazinecarboxamide chemical structure, C23H28N4O2, CAS 712345-05-6

N,N-Diphenyl-4-(1-piperidinylcarbonyl)-1-piperazinecarboxamide712345-05-6C₂₃H₂₈N₄O₂

2-Amino-6-(3-(diethylamino)propyl)-7-methyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile chemical structure, C23H28N4O2, CAS 758701-29-0

2-Amino-6-(3-(diethylamino)propyl)-7-methyl-5-oxo-4-phenyl-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile758701-29-0C₂₃H₂₈N₄O₂

Cyclohexyl 2-cyano-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetate chemical structure, C23H28N4O2, CAS 586995-91-7

Cyclohexyl 2-cyano-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetate586995-91-7C₂₃H₂₈N₄O₂

2-(3-Benzyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-[2-(diethylamino)ethyl]acetamide chemical structure, C23H28N4O2, CAS 333741-47-2

2-(3-Benzyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-[2-(diethylamino)ethyl]acetamide333741-47-2C₂₃H₂₈N₄O₂

NO 794 chemical structure, C23H28N4O2, CAS 105150-87-6

NO 794105150-87-6C₂₃H₂₈N₄O₂

Cyclohexyl 2-cyano-2-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]acetate chemical structure, C23H28N4O2, CAS 573669-90-6

Cyclohexyl 2-cyano-2-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]acetate573669-90-6C₂₃H₂₈N₄O₂

4-(1H-Benzo[d]imidazol-2-yl)-N-(4-butoxyphenyl)piperidine-1-carboxamide chemical structure, C23H28N4O2, CAS 1203419-92-4

4-(1H-Benzo[d]imidazol-2-yl)-N-(4-butoxyphenyl)piperidine-1-carboxamide1203419-92-4C₂₃H₂₈N₄O₂

2-(5-Methyl-2-oxo-1,4,8-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8-trien-4-yl)-N-(4-phenylbutan-2-yl)acetamide chemical structure, C23H28N4O2, CAS 1775516-95-4

2-(5-Methyl-2-oxo-1,4,8-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8-trien-4-yl)-N-(4-phenylbutan-2-yl)acetamide1775516-95-4C₂₃H₂₈N₄O₂

2-(5-Methyl-2-oxo-1,4,8-triazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-4-yl)-N-(3-phenylpropyl)acetamide chemical structure, C23H28N4O2, CAS 1775549-92-2

2-(5-Methyl-2-oxo-1,4,8-triazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-4-yl)-N-(3-phenylpropyl)acetamide1775549-92-2C₂₃H₂₈N₄O₂

Frequently asked questions

Quick answers about Pac-1, based on the data on this page

What is Pac-1?

Pac-1 is procaspase Activating Compound-1 VO-100 is an orally bioavailable procaspase activating compound-1 (PAC-1), with potential proapoptotic and antineoplastic activities.

What is the CAS number of Pac-1?

The CAS registry number of Pac-1 is 315183-21-2. Other or deprecated CAS numbers: 1044929-62-5.

What is the molecular formula and weight of Pac-1?

The molecular formula of Pac-1 is C23H28N4O2 and its molar mass is 392.50 g/mol.

What is Pac-1 used for?

Known uses and roles of Pac-1 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Pac-1 hazardous?

Pac-1 carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Pac-1?

Pac-1 is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pac-1?

CompoundList lists 6 suppliers of Pac-1 in United States, China and United Kingdom. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Pac-1?

Suppliers quote Pac-1 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Pac-1

Pac-1

Key facts

What is Pac-1?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Hazard statements

Pac-1 suppliers

Where suppliers are based

Send one request to many suppliers

Pac-1 price

Uses and applications

Industries and functions

Pharmacology

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Pac-1?

What is the CAS number of Pac-1?

What is the molecular formula and weight of Pac-1?

What is Pac-1 used for?

Is Pac-1 hazardous?

What is the HS code of Pac-1?

Where can I buy Pac-1?

What is the price of Pac-1?

Guides for buyers

Get quotes for Pac-1

Key facts

What is Pac-1?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Hazard statements

Pac-1 suppliers

Where suppliers are based

Send one request to many suppliers

Pac-1 price

Uses and applications

Industries and functions

Pharmacology

Regulatory status

HS code and trade data

Global trade

Related chemicals

Similar structures

Same formula isomers

Frequently asked questions

What is Pac-1?

What is the CAS number of Pac-1?

What is the molecular formula and weight of Pac-1?

What is Pac-1 used for?

Is Pac-1 hazardous?

What is the HS code of Pac-1?

Where can I buy Pac-1?

What is the price of Pac-1?

Guides for buyers

Get quotes for Pac-1