Danusertib (CAS 827318-97-8): price, suppliers and safety

What is Danusertib?

Plain description, key identifiers and synonyms

N-[5-[(2R)-2-methoxy-1-oxo-2-phenylethyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methyl-1-piperazinyl)benzamide is a member of piperazines.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CAS number: 827318-97-8 CAS number cross-checked
Molecular formula: C₂₆H₃₀N₆O₃
UNII: M3X659D0FY
MDL number: MFCD12024692
InChIKey: XKFTZKGMDDZMJI-HSZRJFAPSA-N
InChI: InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1
Canonical SMILES: COC(C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1
Isomeric SMILES: CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=NNC4=C3CN(C4)C(=O)[C@@H](C5=CC=CC=C5)OC

Synonyms

PHA 739358
N-(5-((2R)-2-methoxy-2-phenylacetyl)-1,4,5,6-tetrahydropyrrolo(3,4-c)pyrazol-3-yl)-4-(4-methylpiperazin-1-yl)benzamide
N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
N-{5-[(2R)-2-methoxy-2-phenylacetyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methylpiperazin-1-yl)benzamide
danusertibum
N-(5-((2R)-2-methoxy-2-phenylacetyl)-1H,4H,5H,6H-pyrrolo(3,4-c)pyrazol-3-yl)-4-(4-methylpiperazin-1-yl)benzamide
N-(5-((2R)-2-methoxy-2-phenylacetyl)-4,6-dihydro-1H-pyrrolo(3,4-d)pyrazol-3-yl)-4-(4-methylpiperazin-1-yl)benzamide
Benzamide, 4-(4-methyl-1-piperazinyl)-N-(1,4,5,6-tetrahydro-5-((2R)-methoxyphenylacetyl)pyrrolo(3,4-c)pyrazol-3-yl)-
Danusertib (PHA-739358)
(R)-N-(5-(2-methoxy-2-phenylacetyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)-4-(4-methylpiperazin-1-yl)benzamide
Danusertib, PHA-739358
PHA-739358 (danusertib)
N-[5-((2R)-2-Methoxy-2-phenylethanoyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
Benzamide, 4-(4-methyl-1-piperazinyl)-N-[1,4,5,6-tetrahydro-5-[(2R)-2-methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazol-3-yl]-
N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
5-Amido-pyrrolopyrazole 9d
(R)-N-(5-(2-Methoxy-2-phenylacetyl)-1,4,5,6-tetrahydropyrrolo-[3,4-c]pyrazol-3-yl)-4-(4-methylpiperazin-1-yl)benzamide
4-(4-Methyl-1-piperazinyl)-N-[1,4,5,6-tetrahydro-5-[(2R)-2-methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazol-3-yl]benzamide, PHA 739358
N-{5-[(2R)-2-methoxy-2-phenylethanoyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methylpiperazin-1-yl)benzamide
PHA-739358,Danusertib
Sdccgsbi-0654340.p001
N-[5-[(2R)-2-methoxy-2-phenyl-acetyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
(R)-N-(5-(2-Methoxy-2-phenylacetyl)-1,4,5,6-
(R)-N-[5-(2-Methoxy-2-phenylacetyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methyl-1-piperazinyl)benzamide
4-(4-Methyl-1-piperazinyl)-N-[1,4,5,6-tetrahydro-5-[(2R)-2-methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazol-3-yl]benzamide

Show all 29 synonyms

Benzamide, 4-(4-methyl-1-piperazinyl)-N-(1,4,5,6-tetrahydro-5-((2R)- methoxyphenylacetyl)pyrrolo(3,4-c)pyrazol-3-yl)-
N-[5-((2R)-2-Methoxy-2-phenylethanoyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide, 95%
N-{5-[(2R)-2-Methoxy-2-phenylacetyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methylpiperazin-1-yl)benzene-1-carboximidic acid
N-{5-[Methoxy(phenyl)acetyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methylpiperazin-1-yl)benzene-1-carboximidic acid

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	474.57 g/molcalc.
Exact mass	474.2379 Dacalc.
LogP (octanol/water)	2.64calc.
Topological polar surface area	93.8 Å²calc.
Hydrogen bond donors	2calc.
Hydrogen bond acceptors	6calc.
Rotatable bonds	6calc.
Heavy atoms	35calc.
Rings	5calc.
Aromatic rings	3calc.
Fraction sp3 carbons	0.35calc.
Formal charge	0calc.
Stereocentres	1calc.
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(Nc1n[nH]c2c1CN(C(=O)Cc1ccccc1)C2)c1ccc(N2CCNCC2)cc1

5 rings, 32 atoms.

3 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Danusertib suppliers

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

All 3 suppliers

Biosynce Pharmatech
China, ChengduUnclaimed profile
DanusertibGrade, purity and minimum order on request
Price on request
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ChemFaces
China, WuhanUnclaimed profile
DanusertibGrade, purity and minimum order on request
Price on request
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Excenen Pharmatech Co., Ltd.
China, GuangzhouUnclaimed profile
DanusertibGrade, 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

3 suppliers in 1 country

China3

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Danusertib price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

Aurora kinase inhibitor
antiinfective agent
antimicrobial agent
antimicrobial drug
antineoplastic agent
antiparasitic agent
antiprotozoal drug
apoptosis inducer
enzyme inhibitor
pharmaceutical
protein kinase inhibitor
trypanocidal drug

Pharmacology

Danusertib is a small-molecule 3-aminopyrazole derivative with potential antineoplastic activity. Danusertib binds to and inhibits the Aurora kinases, which may result in cell growth arrest and apoptosis in tumor cells in which Aurora kinases are overexpressed. This agent may preferentially bind to and inhibit Aurora B kinase. Aurora kinases, a family of serine-threonine kinases, are important regulators of cellular proliferation and division.

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 Danusertib 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 Danusertib 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

Stereoisomers and isotopic forms

Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)

4-(4-Methyl-1-piperazinyl)-N-[1,4,5,6-tetrahydro-5-(2-methoxy-2-phenylacetyl)pyrrolo[3,4-c]pyrazol-3-yl]benzamide chemical structure, C26H30N6O3, CAS 1044136-93-7

4-(4-Methyl-1-piperazinyl)-N-[1,4,5,6-tetrahydro-5-(2-methoxy-2-phenylacetyl)pyrrolo[3,4-c]pyrazol-3-yl]benzamide1044136-93-7C₂₆H₃₀N₆O₃

Similar structures

Nearest neighbours by Morgan fingerprint Tanimoto similarity

Ethyl 5-[(2R)-2-methoxy-2-phenylethanoyl]-3-{[4-(4-methylpiperazin-1-yl)benzoyl]amino}-5,6-dihydropyrrolo[3,4-c]pyrazole-1(4H)-carboxylate chemical structure, C29H34N6O5, CAS 827318-78-5

N-[5-(3-Aminopropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide chemical structure, C20H27N7O2, CAS 1299486-74-0

Pha-680632 chemical structure, C28H35N7O2, CAS 398493-79-3

62% similar

Pha-680632398493-79-3C₂₈H₃₅N₇O₂

4-(4-Methylpiperazin-1-yl)-N-[5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzamide chemical structure, C23H26N6O2S, CAS 398493-74-8

Benzamide, N-[5-[2-(2,6-difluorophenyl)acetyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methyl-1-piperazinyl)- chemical structure, C25H26F2N6O2, CAS 1444384-89-7

Same formula isomers

Different compounds that share this molecular formula

All isomers

Macimorelin chemical structure, C26H30N6O3, CAS 381231-18-1

Macimorelin381231-18-1C₂₆H₃₀N₆O₃

N-(1-((E)-((Cyanoamino)((quinolin-5-yl)amino)methylidene)amino)-2,2-dimethylpropyl)-2-(3,4-dimethoxyphenyl)acetamide chemical structure, C26H30N6O3, CAS 861393-28-4

N-(1-((E)-((Cyanoamino)((quinolin-5-yl)amino)methylidene)amino)-2,2-dimethylpropyl)-2-(3,4-dimethoxyphenyl)acetamide861393-28-4C₂₆H₃₀N₆O₃

Xmd8-92 chemical structure, C26H30N6O3, CAS 1234480-50-2

Xmd8-921234480-50-2C₂₆H₃₀N₆O₃4 suppliers

2-Amino-N-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide chemical structure, C26H30N6O3, CAS 376614-43-6

2-Amino-N-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide376614-43-6C₂₆H₃₀N₆O₃

Olmesartan ethyl ester chemical structure, C26H30N6O3, CAS 144689-23-6

Olmesartan ethyl ester144689-23-6C₂₆H₃₀N₆O₃

Vepafestinib chemical structure, C26H30N6O3, CAS 2129515-96-2

Vepafestinib2129515-96-2C₂₆H₃₀N₆O₃

8-((4-(4-Methoxyphenyl)piperazin-1-yl)methyl)-3-methyl-7-(2-methylbenzyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C26H30N6O3, CAS 847408-06-4

8-((4-(4-Methoxyphenyl)piperazin-1-yl)methyl)-3-methyl-7-(2-methylbenzyl)-1H-purine-2,6(3H,7H)-dione847408-06-4C₂₆H₃₀N₆O₃

Mti-31 chemical structure, C26H30N6O3, CAS 1567915-38-1

Mti-311567915-38-1C₂₆H₃₀N₆O₃

8-{[4-(4-Methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-[(4-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C26H30N6O3, CAS 862979-47-3

8-{[4-(4-Methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-[(4-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione862979-47-3C₂₆H₃₀N₆O₃

1-[4-[(4-Oxo-1,2,3-benzotriazin-3-yl)methyl]benzoyl]-4-piperidin-1-ylpiperidine-4-carboxamide chemical structure, C26H30N6O3, CAS 440330-66-5

1-[4-[(4-Oxo-1,2,3-benzotriazin-3-yl)methyl]benzoyl]-4-piperidin-1-ylpiperidine-4-carboxamide440330-66-5C₂₆H₃₀N₆O₃

2-Butyl-6-(2-(4-(2-methoxyphenyl)piperazin-1-yl)-2-oxoethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one chemical structure, C26H30N6O3, CAS 1030125-93-9

2-Butyl-6-(2-(4-(2-methoxyphenyl)piperazin-1-yl)-2-oxoethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one1030125-93-9C₂₆H₃₀N₆O₃

8-(4-(4-Methoxyphenyl)piperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C26H30N6O3, CAS 442864-45-1

8-(4-(4-Methoxyphenyl)piperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione442864-45-1C₂₆H₃₀N₆O₃

Frequently asked questions

Quick answers about Danusertib, based on the data on this page

What is Danusertib?

N-[5-[(2R)-2-methoxy-1-oxo-2-phenylethyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methyl-1-piperazinyl)benzamide is a member of piperazines.

What is the CAS number of Danusertib?

The CAS registry number of Danusertib is 827318-97-8.

What is the molecular formula and weight of Danusertib?

The molecular formula of Danusertib is C26H30N6O3 and its molar mass is 474.57 g/mol.

What is Danusertib used for?

Known uses and roles of Danusertib include aurora kinase inhibitor, antiinfective agent, antimicrobial agent, antimicrobial drug, antineoplastic agent and 7 more.

Is Danusertib hazardous?

No GHS hazard classification for Danusertib is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Danusertib?

Danusertib 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 Danusertib?

CompoundList lists 3 suppliers of Danusertib in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Danusertib?

Suppliers quote Danusertib 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 Danusertib

Danusertib

Key facts

What is Danusertib?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Danusertib suppliers

Where suppliers are based

Send one request to many suppliers

Danusertib price

Uses and applications

Roles

Pharmacology

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Danusertib?

What is the CAS number of Danusertib?

What is the molecular formula and weight of Danusertib?

What is Danusertib used for?

Is Danusertib hazardous?

What is the HS code of Danusertib?

Where can I buy Danusertib?

What is the price of Danusertib?

Guides for buyers

Get quotes for Danusertib

Key facts

What is Danusertib?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Danusertib suppliers

Where suppliers are based

Send one request to many suppliers

Danusertib price

Uses and applications

Roles

Pharmacology

Regulatory status

HS code and trade data

Global trade

Related chemicals

Stereoisomers and isotopic forms

Similar structures

Same formula isomers

Frequently asked questions

What is Danusertib?

What is the CAS number of Danusertib?

What is the molecular formula and weight of Danusertib?

What is Danusertib used for?

Is Danusertib hazardous?

What is the HS code of Danusertib?

Where can I buy Danusertib?

What is the price of Danusertib?

Guides for buyers

Get quotes for Danusertib