Berzosertib (CAS 1232416-25-9): price, suppliers and safety

What is Berzosertib?

Plain description, key identifiers and synonyms

3-[3-[4-(methylaminomethyl)phenyl]-5-isoxazolyl]-5-(4-propan-2-ylsulfonylphenyl)-2-pyrazinamine is a sulfonamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: 3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CAS number: 1232416-25-9 CAS number cross-checked
EC number: 864-704-7
Molecular formula: C₂₄H₂₅N₅O₃S
UNII: L423PRV3V3
MDL number: MFCD27976794
InChIKey: JZCWLJDSIRUGIN-UHFFFAOYSA-N
InChI: InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)
SMILES (canonical and isomeric): CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N

Synonyms

2-Pyrazinamine, 3-[3-[4-[(methylamino)methyl]phenyl]-5-isoxazolyl]-5-[4-[(1-methylethyl)sulfonyl]phenyl]-
3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
VX 970
2-Pyrazinamine, 3-(3-(4-((methylamino)methyl)phenyl)-5-isoxazolyl)-5-(4-((1-methylethyl)sulfonyl)phenyl)-
3-(3-{4-[(Methylamino)methyl]phenyl}-1,2-oxazol-5-yl)-5-[4-(propane-2-sulfonyl)phenyl]pyrazin-2-amine
3-(3-(4-((Methylamino)methyl)phenyl)-1,2-oxazol-5-yl)-5-(4-(propane-2-sulfonyl)phenyl)pyrazin-2-amine
berzosertibum
3-(3-(4-(methylaminomethyl)phenyl)-1,2-oxazol-5-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
VE 822
Berzosertib (VE-822)
5-(4-(isopropylsulfonyl)phenyl)-3-(3-(4-((methylamino)methyl)phenyl)isoxazol-5-yl)pyrazin-2-amine
VE-822 (VX-970)
3-[3-[4-[(Methylamino)methyl]phenyl]-5-isoxazolyl]-5-[4-[(1-methylethyl)sulfonyl]phenyl]-2-pyrazinamine
5-(4-(isopropylsulfonyl)phenyl)-3-(3-(4-((methylamino)methyl)phenyl)isoxazol-5-yl)pyrazin-2-amine.
US10208027, Compound II-2
3-(3-(4-((Methylamino)methyl)phenyl)-5-isoxazolyl)-5-(4-((1-methylethyl)sulfonyl)phenyl)-2-pyrazinamine
VX-970, Berzosertib
Berzosertib (USAN/INN)
VE-822 (Berzosertib)
VE-822 (Berzosertib)?
US10208027, Compound II-1
US10208027, Compound II-3
US10208027, Compound II-4
5-(4-isopropylsulfonylphenyl)-3-[3-[4-(methylaminomethyl)phenyl]isoxazol-5-yl]pyrazin-2-amine
2-Amino-5-[4-(isopropylsulfonyl)phenyl]-3-[3-[4-[(methylamino)methyl]phenyl]-5-isoxazolyl]pyrazine

Show all 27 synonyms

3-[3-[4-[dideuterio-(trideuteriomethylamino)methyl]phenyl]isoxazol-5-yl]-5-(4-isopropylsulfonylphenyl)pyrazin-2-amine
Synthesis of 3-[3-[4-[dideuterio(methylamino)methyl]phenyl]isoxazol-5-yl]-5-(4-isopropylsulfonylphenyl)pyrazin-2-amine

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	463.56 g/molcalc.
Exact mass	463.1678 Dacalc.
LogP (octanol/water)	3.95calc.
Topological polar surface area	124 Å²calc.
Hydrogen bond donors	2calc.
Hydrogen bond acceptors	8calc.
Rotatable bonds	7calc.
Heavy atoms	33calc.
Rings	4calc.
Aromatic rings	4calc.
Fraction sp3 carbons	0.21calc.
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

c1ccc(-c2cc(-c3cncc(-c4ccccc4)n3)on2)cc1

4 rings, 23 atoms.

4 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word

Warning

Serious health hazard

Hazard statements

H341Suspected of causing genetic defects.
H361fdSuspected of damaging fertility. Suspected of damaging the unborn child.
H373May cause damage to organs through prolonged or repeated exposure.

Precautionary statements (7)

P203Obtain, read and follow all safety instructions before use.
P260Do not breathe dust, fume, gas, mist, vapours or spray.
P280Wear protective gloves, protective clothing, eye protection and face protection.
P318If exposed or concerned, get medical advice.
P319Get medical help if you feel unwell.
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

Berzosertib suppliers

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

All 13 suppliers

Verified only13 of 13 offers

1st Scientific LLC
China, NanjingUnclaimed profile
BerzosertibGrade, purity and minimum order on request
Price on request
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Angel Pharmatech Ltd.
China, ShanghaiUnclaimed profile
BerzosertibGrade, purity and minimum order on request
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Ark Pharma Scientific Limited
China, WuhanUnclaimed profile
BerzosertibGrade, purity and minimum order on request
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Axon Medchem
United States, RestonUnclaimed profile
BerzosertibGrade, purity and minimum order on request
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ChemFaces
China, WuhanUnclaimed profile
BerzosertibGrade, purity and minimum order on request
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Excenen Pharmatech Co., Ltd.
China, GuangzhouUnclaimed profile
BerzosertibGrade, purity and minimum order on request
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Glixx Labs, Inc
United States, HopkintonUnclaimed profile
BerzosertibGrade, purity and minimum order on request
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LKT Laboratories, Inc.
United States, St. PaulUnclaimed profile
BerzosertibGrade, purity and minimum order on request
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Matrix Scientific
United States, ElginUnclaimed profile
BerzosertibGrade, purity and minimum order on request
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Pharmacore Co., Limited
China, KunshanUnclaimed profile
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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

13 suppliers in 3 countries

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Berzosertib 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

Industries and functions

Roles

antineoplastic agent
pharmaceutical

Pharmacology

Berzosertib is an inhibitor of ataxia telangiectasia and rad3-related (ATR) kinase, a DNA damage response kinase, with potential antineoplastic activity. Upon administration, berzosertib selectively binds to and inhibits ATR kinase activity and prevents ATR-mediated signaling in the ATR-checkpoint kinase 1 (Chk1) signaling pathway. This prevents DNA damage checkpoint activation, disrupts DNA damage repair, and induces tumor cell apoptosis. ATR, a serine/threonine protein kinase upregulated in a variety of cancer cell types, plays a key role in DNA repair, cell cycle progression, and survival, it is activated by DNA damage caused during DNA replication-associated stress.

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 Berzosertib is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024

$26.7B

+15.0% vs 2023, imports $26.3B

2019 to 2024

Top exporters

Ireland26.3%
China15.7%
Singapore10.3%

Top importers

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

The HS code shown for Berzosertib 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

Salt and hydrate forms

Records that share this compound as their parent

Berzosertib hydrochloride chemical structure, C24H26ClN5O3S, CAS 1428935-04-9

Berzosertib hydrochloride1428935-04-9C₂₄H₂₆ClN₅O₃S

Same formula isomers

Different compounds that share this molecular formula

All isomers

hRSV-IN-1 chemical structure, C24H25N5O3S, CAS 749868-66-4

hRSV-IN-1749868-66-4C₂₄H₂₅N₅O₃S

N-(3-Methoxyphenyl)-2-[[4-(4-methoxyphenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide chemical structure, C24H25N5O3S, CAS 847393-11-7

N-(3-Methoxyphenyl)-2-[[4-(4-methoxyphenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide847393-11-7C₂₄H₂₅N₅O₃S

[Hexahydro-5-(4-pyridinyl)pyrrolo[3,4-c]pyrrol-2(1H)-yl][1-(5-isoquinolinylsulfonyl)-3-azetidinyl]-methanone chemical structure, C24H25N5O3S, CAS 1392443-41-2

[Hexahydro-5-(4-pyridinyl)pyrrolo[3,4-c]pyrrol-2(1H)-yl][1-(5-isoquinolinylsulfonyl)-3-azetidinyl]-methanone1392443-41-2C₂₄H₂₅N₅O₃S

N-Cyclopentyl-1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide chemical structure, C24H25N5O3S, CAS 1105237-35-1

N-Cyclopentyl-1-{[(3-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide1105237-35-1C₂₄H₂₅N₅O₃S

N1-(2,4-dimethylphenyl)-N2-(2-(2-(4-methoxyphenyl)-6-methylthiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl)oxalamide chemical structure, C24H25N5O3S, CAS 896320-64-2

N1-(2,4-dimethylphenyl)-N2-(2-(2-(4-methoxyphenyl)-6-methylthiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl)oxalamide896320-64-2C₂₄H₂₅N₅O₃S

1H-Imidazole-4-sulfonamide, N-(6-methoxy-3-pyridinyl)-1,2-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]- chemical structure, C24H25N5O3S, CAS 1114475-05-6

1H-Imidazole-4-sulfonamide, N-(6-methoxy-3-pyridinyl)-1,2-dimethyl-N-[[5-(2-methylphenyl)-2-pyridinyl]methyl]-1114475-05-6C₂₄H₂₅N₅O₃S

N-Benzyl-2-({2-ethyl-6-[(4-methoxyphenyl)methyl]-7-oxo-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide chemical structure, C24H25N5O3S, CAS 932547-19-8

N-Benzyl-2-({2-ethyl-6-[(4-methoxyphenyl)methyl]-7-oxo-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide932547-19-8C₂₄H₂₅N₅O₃S

N-(2,4-Dimethoxyphenyl)-2-((4-isopropyl-1-phenyl-1H-pyrazolo[3,4-d]pyridazin-7-yl)thio)acetamide chemical structure, C24H25N5O3S, CAS 1105235-51-5

N-(2,4-Dimethoxyphenyl)-2-((4-isopropyl-1-phenyl-1H-pyrazolo[3,4-d]pyridazin-7-yl)thio)acetamide1105235-51-5C₂₄H₂₅N₅O₃S

N-[(4-Methoxyphenyl)methyl]-2-({4-oxo-2-[4-(propan-2-yl)phenyl]-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl}sulfanyl)acetamide chemical structure, C24H25N5O3S, CAS 1040656-00-5

N-[(4-Methoxyphenyl)methyl]-2-({4-oxo-2-[4-(propan-2-yl)phenyl]-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl}sulfanyl)acetamide1040656-00-5C₂₄H₂₅N₅O₃S

N-(2,5-Dimethylphenyl)-2-(7-(furan-2-yl)-4-oxo-2-(piperidin-1-yl)thiazolo[4,5-d]pyridazin-5(4H)-yl)acetamide chemical structure, C24H25N5O3S, CAS 1105208-10-3

N-(2,5-Dimethylphenyl)-2-(7-(furan-2-yl)-4-oxo-2-(piperidin-1-yl)thiazolo[4,5-d]pyridazin-5(4H)-yl)acetamide1105208-10-3C₂₄H₂₅N₅O₃S

2-(7-(Furan-2-yl)-4-oxo-2-(piperidin-1-yl)thiazolo[4,5-d]pyridazin-5(4H)-yl)-N-phenethylacetamide chemical structure, C24H25N5O3S, CAS 1105241-59-5

2-(7-(Furan-2-yl)-4-oxo-2-(piperidin-1-yl)thiazolo[4,5-d]pyridazin-5(4H)-yl)-N-phenethylacetamide1105241-59-5C₂₄H₂₅N₅O₃S

N-(2,5-Dimethoxyphenyl)-2-((1-(3,4-dimethylphenyl)-4-methyl-1H-pyrazolo[3,4-d]pyridazin-7-yl)thio)acetamide chemical structure, C24H25N5O3S, CAS 1105237-58-8

N-(2,5-Dimethoxyphenyl)-2-((1-(3,4-dimethylphenyl)-4-methyl-1H-pyrazolo[3,4-d]pyridazin-7-yl)thio)acetamide1105237-58-8C₂₄H₂₅N₅O₃S

Frequently asked questions

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

What is Berzosertib?

3-[3-[4-(methylaminomethyl)phenyl]-5-isoxazolyl]-5-(4-propan-2-ylsulfonylphenyl)-2-pyrazinamine is a sulfonamide.

What is the CAS number of Berzosertib?

The CAS registry number of Berzosertib is 1232416-25-9.

What is the molecular formula and weight of Berzosertib?

The molecular formula of Berzosertib is C24H25N5O3S and its molar mass is 463.56 g/mol.

What is Berzosertib used for?

Known uses and roles of Berzosertib include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent and pharmaceutical.

Is Berzosertib hazardous?

Berzosertib carries the GHS signal word "Warning". Main hazards: suspected of causing genetic defects, suspected of damaging fertility. suspected of damaging the unborn child, may cause damage to organs through prolonged or repeated exposure. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Berzosertib?

Berzosertib is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Berzosertib?

CompoundList lists 13 suppliers of Berzosertib in China, United States and Canada. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Berzosertib?

Suppliers quote Berzosertib 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 Berzosertib

Berzosertib

Key facts

What is Berzosertib?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Hazard statements

Berzosertib suppliers

Where suppliers are based

Send one request to many suppliers

Berzosertib price

Uses and applications

Industries and functions

Roles

Pharmacology

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Berzosertib?

What is the CAS number of Berzosertib?

What is the molecular formula and weight of Berzosertib?

What is Berzosertib used for?

Is Berzosertib hazardous?

What is the HS code of Berzosertib?

Where can I buy Berzosertib?

What is the price of Berzosertib?

Guides for buyers

Get quotes for Berzosertib

Key facts

What is Berzosertib?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Hazard statements

Berzosertib suppliers

Where suppliers are based

Send one request to many suppliers

Berzosertib price

Uses and applications

Industries and functions

Roles

Pharmacology

Regulatory status

HS code and trade data

Global trade

Related chemicals

Salt and hydrate forms

Same formula isomers

Frequently asked questions

What is Berzosertib?

What is the CAS number of Berzosertib?

What is the molecular formula and weight of Berzosertib?

What is Berzosertib used for?

Is Berzosertib hazardous?

What is the HS code of Berzosertib?

Where can I buy Berzosertib?

What is the price of Berzosertib?

Guides for buyers

Get quotes for Berzosertib