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Screening compounds

Gartisertib

Also known as 2-Amino-6-fluoro-N-(5-fluoro-4-(4-((4-(oxetan-3-yl)piperazin-1-yl)carbonyl)-1-piperidyl)-3-pyridyl)pyrazolo(1,5-a)pyrimidine-3-carboxamide, Pyrazolo(1,5-a)pyrimidine-3-carboxamide, 2-amino-6-fluoro-N-(5-fluoro-4-(4-((4-(3-oxetanyl)-1-piperazinyl)carbonyl)-1-piperidinyl)-3-pyridinyl)-, 2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Computed by Lexi

CAS 1613191-99-3Formula C25H29F2N9O3Molar mass 541.56 g/mol
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Gartisertib chemical structure, C25H29F2N9O3, CAS 1613191-99-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1613191-99-3
Formula
C25H29F2N9O3
Molar mass
541.56 g/mol
HS code
293499
Category
Screening compounds

What is Gartisertib?

Plain description, key identifiers and synonyms

Gartisertib is a member of the class of pyrazolopyrimidines that is pyrazolo[1,5-a]pyrimidine substituted by amino, N-[5-fluoro-4-(4-{[4-(oxetan-3-yl)piperazin-1-yl]carbonyl}piperidin-1-yl)pyridin-3-yl]aminoacyl, and fluoro groups at positions 2, 3 and 6, respectively. It is an inhibitor of ataxia telangiectasia and Rad3 related (ATR) kinase that exhibits antineoplastic activity. It has a role as an antineoplastic agent, an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor and an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is a secondary carboxamide, a member of pyridines, an aromatic amine, an organofluorine compound, a pyrazolopyrimidine, a member of oxetanes, a N-acylpiperazine, a piperidinecarboxamide and a primary amino compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CAS number
1613191-99-3
Molecular formula
C25H29F2N9O3
UNII
7OM98IUD1O
MDL number
MFCD31803930
InChIKey
QAYHKBLKSXWOEO-UHFFFAOYSA-N
InChI
InChI=1S/C25H29F2N9O3/c26-16-9-30-23-20(22(28)32-36(23)12-16)24(37)31-19-11-29-10-18(27)21(19)34-3-1-15(2-4-34)25(38)35-7-5-33(6-8-35)17-13-39-14-17/h9-12,15,17H,1-8,13-14H2,(H2,28,32)(H,31,37)
SMILES (canonical and isomeric)
C1CN(CCC1C(=O)N2CCN(CC2)C3COC3)C4=C(C=NC=C4NC(=O)C5=C6N=CC(=CN6N=C5N)F)F

Synonyms

  • 2-Amino-6-fluoro-N-(5-fluoro-4-(4-((4-(oxetan-3-yl)piperazin-1-yl)carbonyl)-1-piperidyl)-3-pyridyl)pyrazolo(1,5-a)pyrimidine-3-carboxamide
  • Pyrazolo(1,5-a)pyrimidine-3-carboxamide, 2-amino-6-fluoro-N-(5-fluoro-4-(4-((4-(3-oxetanyl)-1-piperazinyl)carbonyl)-1-piperidinyl)-3-pyridinyl)-
  • 2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Computed by Lexi
  • 2-amino-6-fluoro-N-(5-fluoro-4-(4-(4-(oxetan-3-yl)piperazine-1-carbonyl)piperidin-1-yl)pyridin-3-yl)pyrazolo(1,5-a)pyrimidine-3-carboxamide Computed by Lexi
  • ATR Kinase Inhibitor VX-803
  • VX 803
  • 2-amino-6-fluoro-N-(5-fluoro-4-(4-(4-(oxetan-3-yl)piperazine-1-carbonyl)piperidin-1-yl)pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
  • VX-803 (M4344)
  • 2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
  • ATR inhibitor 2
  • 2-Amino-6-fluoro-N-[5-fluoro-4-[4-[[4-(3-oxetanyl)-1-piperazinyl]carbonyl]-1-piperidinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
  • 2-amino-6-fluoro-N-(5-fluoro-4-{4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl}pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
  • 2-Amino-6-fluoro-N-[5-fluoro-4-[4-[4-(3-oxetanyl)piperazine-1-carbonyl]-1-piperidyl]-3-pyridyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
  • 2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]-1-piperidyl]-3-pyridyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
  • gartisertibum
  • M 4344
  • Gartisertib (M4344, VX-803)
  • US10392391, Compound I-G-32
  • VX-803, M4344, ATR inhibitor 2
  • 2-amino-6-fluoro-N-[5-fluoro-4-(4-{[4-(oxetan-3-yl)piperazin-1-yl]carbonyl}piperidin-1-yl)pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
  • 2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]-1-piperidyl]-3-pyridyl]pyrazolo pyrimidine-3-carboxamide
  • 2-amino-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

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
541.56 g/molcalc.
Exact mass
541.2361 Dacalc.
LogP (octanol/water)
1calc.
Topological polar surface area
134.2 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
5calc.
Heavy atoms
39calc.
Rings
6calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.48calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(Nc1cnccc1N1CCC(C(=O)N2CCN(C3COC3)CC2)CC1)c1cnn2cccnc12

O=C(Nc1cnccc1N1CCC(C(=O)N2CCN(C3COC3)CC2)CC1)c1cnn2cccnc12

6 rings, 36 atoms.

1 other chemical 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.

Gartisertib suppliers

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Gartisertib price

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antineoplastic agent
  • enzyme inhibitor
  • lipid kinase inhibitor
  • pharmaceutical
  • protein kinase inhibitor

Pharmacology

Gartisertib is an orally available inhibitor of ataxia telangiectasia and Rad3 related (ATR) kinase, with potential antineoplastic activity. Upon oral administration,gartisertib selectively inhibits ATR activity and blocks the downstream phosphorylation of the serine/threonine protein kinase 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.

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 Gartisertib 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
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Gartisertib?

Gartisertib is a member of the class of pyrazolopyrimidines that is pyrazolo[1,5-a]pyrimidine substituted by amino, N-[5-fluoro-4-(4-{[4-(oxetan-3-yl)piperazin-1-yl]carbonyl}piperidin-1-yl)pyridin-3-yl]aminoacyl, and fluoro groups at positions 2, 3 and 6, respectively.

What is the CAS number of Gartisertib?

The CAS registry number of Gartisertib is 1613191-99-3.

What is the molecular formula and weight of Gartisertib?

The molecular formula of Gartisertib is C25H29F2N9O3 and its molar mass is 541.56 g/mol.

What is Gartisertib used for?

Known uses and roles of Gartisertib include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent, enzyme inhibitor, lipid kinase inhibitor and 2 more.

Is Gartisertib hazardous?

No GHS hazard classification for Gartisertib 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 Gartisertib?

Gartisertib 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 Gartisertib?

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What is the price of Gartisertib?

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

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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