Alnodesertib (CAS 2267316-76-5): price, suppliers and safety

What is Alnodesertib?

Plain description, key identifiers and synonyms

Alnodesertib is an orally bioavailable inhibitor of ataxia telangiectasia and Rad3 related (ATR) kinase, with potential antineoplastic activity. Upon oral administration, alnodesertib selectively targets and inhibits ATR activity and blocks the downstream phosphorylation of the serine/threonine protein kinase checkpoint kinase 1 (CHK1). This prevents ATR-mediated signaling, which results in the inhibition of DNA damage checkpoint activation, the disruption of DNA damage repair, and the induction of 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.

Alnodesertib is an investigational new drug.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: 4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine
CAS number: 2267316-76-5
Molecular formula: C₁₈H₂₄N₆O₂S
UNII: W7X77IH95R
InChIKey: JHPDHYAMSPMBIF-MUDIAHQHSA-N
InChI: InChI=1S/C18H24N6O2S/c1-12-11-26-8-7-24(12)17-10-16(23-27(2,25)14-3-4-14)21-18(22-17)13-5-6-20-15(19)9-13/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3,(H2,19,20)/t12-,27+/m1/s1
Canonical SMILES: CC1COCCN1c1cc(N=S(C)(=O)C2CC2)nc(-c2ccnc(N)c2)n1
Isomeric SMILES: C[C@@H]1COCCN1C2=NC(=NC(=C2)N=[S@](=O)(C)C3CC3)C4=CC(=NC=C4)N

Synonyms

4-[4-[(cyclopropyl-methyl-oxo-lambda6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine
US11434233, Example 39b
compound 6
example 39b
((2-(2-aminopyridin-4-yl)-6-(3-methylmorpholino)pyrimidin-4-yl)imino)(cyclopropyl)(methyl)-l6-sulfanone
(S)-({2-(2-aminopyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl}imino)(cyclopropyl)(methyl)-lambda6-sulfanone
2-(2-amino-4-pyridinyl)-N-[(S)-cyclopropylmethyloxido->>4-sulfanylidene]-6-[ (3R)-3-methyl-4-morpholinyl]-4-Pyrimidinamine
4-Pyrimidinamine, 2-(2-amino-4-pyridinyl)-N-[(S)-cyclopropylmethyloxido-lambda4-sulfanylidene]-6-[(3R)-3-methyl-4-morpholinyl]-

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	388.50 g/molcalc.
Exact mass	388.1681 Dacalc.
LogP (octanol/water)	2.24calc.
Topological polar surface area	106.6 Å²calc.
Hydrogen bond donors	1calc.
Hydrogen bond acceptors	8calc.
Rotatable bonds	4calc.
Heavy atoms	27calc.
Rings	4calc.
Aromatic rings	2calc.
Fraction sp3 carbons	0.5calc.
Formal charge	0calc.
Stereocentres	2calc.
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=[SH](=Nc1cc(N2CCOCC2)nc(-c2ccncc2)n1)C1CC1

4 rings, 24 atoms.

2 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.

Alnodesertib suppliers

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

No supplier listings yet

Post one free request and suppliers who make or trade Alnodesertib can send you quotes. Your contact details stay private until you accept a quote.

Request quotes Sell this chemical

Alnodesertib 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.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Industries and functions

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 Alnodesertib 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 Alnodesertib 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)

(S)-ART0380 chemical structure, C18H24N6O2S, CAS 2267316-75-4

(S)-ART03802267316-75-4C₁₈H₂₄N₆O₂S

4-[4-[(Cyclopropyl-methyl-oxo-lambda6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine chemical structure, C18H24N6O2S

4-[4-[(Cyclopropyl-methyl-oxo-lambda6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amineC₁₈H₂₄N₆O₂S

Same formula isomers

Different compounds that share this molecular formula

All isomers

N-(2-(4-(Phenethylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)propane-1-sulfonamide chemical structure, C18H24N6O2S, CAS 1172830-23-7

N-(2-(4-(Phenethylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)propane-1-sulfonamide1172830-23-7C₁₈H₂₄N₆O₂S

N-(4-Acetamidophenyl)-2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)acetamide chemical structure, C18H24N6O2S, CAS 678158-27-5

N-(4-Acetamidophenyl)-2-((4-amino-5-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)acetamide678158-27-5C₁₈H₂₄N₆O₂S

2-{[4-(Ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl]sulfanyl}-3-oxo-N-phenylbutanamide chemical structure, C18H24N6O2S, CAS 371216-55-6

2-{[4-(Ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl]sulfanyl}-3-oxo-N-phenylbutanamide371216-55-6C₁₈H₂₄N₆O₂S

tert-Butyl 2-(2-(1H-imidazol-1-yl)-6-methylpyrimidin-4-yl)-3-carbamothioylpyrrolidine-1-carboxylate chemical structure, C18H24N6O2S, CAS 888314-75-8

tert-Butyl 2-(2-(1H-imidazol-1-yl)-6-methylpyrimidin-4-yl)-3-carbamothioylpyrrolidine-1-carboxylate888314-75-8C₁₈H₂₄N₆O₂S

(2,4-Dimethylthiazol-5-yl)(4-(6-morpholinopyridazin-4-yl)piperazin-1-yl)methanone chemical structure, C18H24N6O2S, CAS 1798035-96-7

(2,4-Dimethylthiazol-5-yl)(4-(6-morpholinopyridazin-4-yl)piperazin-1-yl)methanone1798035-96-7C₁₈H₂₄N₆O₂S

N-(2-Oxo-2-{[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]amino}ethyl)-4-phenylpiperazine-1-carboxamide chemical structure, C18H24N6O2S, CAS 1246051-45-5

N-(2-Oxo-2-{[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]amino}ethyl)-4-phenylpiperazine-1-carboxamide1246051-45-5C₁₈H₂₄N₆O₂S

1-Isopropyl-3,5-dimethyl-N-(2-(2-(pyridin-2-yl)-1H-imidazol-1-yl)ethyl)-1H-pyrazole-4-sulfonamide chemical structure, C18H24N6O2S, CAS 2034506-97-1

1-Isopropyl-3,5-dimethyl-N-(2-(2-(pyridin-2-yl)-1H-imidazol-1-yl)ethyl)-1H-pyrazole-4-sulfonamide2034506-97-1C₁₈H₂₄N₆O₂S

N-(2-(6-(Ethylthio)-4-(isobutylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)furan-2-carboxamide chemical structure, C18H24N6O2S, CAS 946313-95-7

N-(2-(6-(Ethylthio)-4-(isobutylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)furan-2-carboxamide946313-95-7C₁₈H₂₄N₆O₂S

N-(2-(4-(Propylamino)-6-(propylthio)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)furan-2-carboxamide chemical structure, C18H24N6O2S, CAS 946283-09-6

N-(2-(4-(Propylamino)-6-(propylthio)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)furan-2-carboxamide946283-09-6C₁₈H₂₄N₆O₂S

N-{2-[3,5-Dimethyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl]ethyl}-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide chemical structure, C18H24N6O2S, CAS 2034620-50-1

N-{2-[3,5-Dimethyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl]ethyl}-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide2034620-50-1C₁₈H₂₄N₆O₂S

N-(2-(3,5-Dimethyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)ethyl)-1-isopropyl-1H-imidazole-4-sulfonamide chemical structure, C18H24N6O2S, CAS 2034338-11-7

N-(2-(3,5-Dimethyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)ethyl)-1-isopropyl-1H-imidazole-4-sulfonamide2034338-11-7C₁₈H₂₄N₆O₂S

(E)-N-((4-(Dimethylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl)methyl)-2-phenylethenesulfonamide chemical structure, C18H24N6O2S, CAS 2035022-04-7

(E)-N-((4-(Dimethylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl)methyl)-2-phenylethenesulfonamide2035022-04-7C₁₈H₂₄N₆O₂S

Frequently asked questions

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

What is Alnodesertib?

Alnodesertib is an orally bioavailable inhibitor of ataxia telangiectasia and Rad3 related (ATR) kinase, with potential antineoplastic activity.

What is the CAS number of Alnodesertib?

The CAS registry number of Alnodesertib is 2267316-76-5.

What is the molecular formula and weight of Alnodesertib?

The molecular formula of Alnodesertib is C18H24N6O2S and its molar mass is 388.50 g/mol.

What is Alnodesertib used for?

Known uses and roles of Alnodesertib include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Alnodesertib hazardous?

No GHS hazard classification for Alnodesertib 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 Alnodesertib?

Alnodesertib 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 Alnodesertib?

Post a free request on CompoundList and suppliers of Alnodesertib will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Alnodesertib?

Suppliers quote Alnodesertib 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 Alnodesertib

Alnodesertib

Key facts

What is Alnodesertib?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Alnodesertib suppliers

Alnodesertib price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Alnodesertib?

What is the CAS number of Alnodesertib?

What is the molecular formula and weight of Alnodesertib?

What is Alnodesertib used for?

Is Alnodesertib hazardous?

What is the HS code of Alnodesertib?

Where can I buy Alnodesertib?

What is the price of Alnodesertib?

Guides for buyers

Get quotes for Alnodesertib

Key facts

What is Alnodesertib?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Alnodesertib suppliers

Alnodesertib price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Related chemicals

Stereoisomers and isotopic forms

Same formula isomers

Frequently asked questions

What is Alnodesertib?

What is the CAS number of Alnodesertib?

What is the molecular formula and weight of Alnodesertib?

What is Alnodesertib used for?

Is Alnodesertib hazardous?

What is the HS code of Alnodesertib?

Where can I buy Alnodesertib?

What is the price of Alnodesertib?

Guides for buyers

Get quotes for Alnodesertib