Gartisertib | CAS#1613191-99-3 | ATR inhibitor

MedKoo Cat#: 207060 | Name: Gartisertib

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Gartisertib, also known as VX-803, is an orally available inhibitor of ataxia telangiectasia and Rad3 related (ATR) kinase, with potential antineoplastic activity. Upon oral administration, ATR kinase inhibitor VX-803 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.

Chemical Structure

Gartisertib

CAS#1613191-99-3

Theoretical Analysis

MedKoo Cat#: 207060

Name: Gartisertib

CAS#: 1613191-99-3

Chemical Formula: C25H29F2N9O3

Exact Mass: 541.2361

Molecular Weight: 541.56

Elemental Analysis: C, 55.45; H, 5.40; F, 7.02; N, 23.28; O, 8.86

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

No Data

Synonym

M4344; M-4344; M 4344; VX-803; VX803; VX 803; Gartisertib; Gartisertibum;

IUPAC/Chemical Name

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

InChi Key

QAYHKBLKSXWOEO-UHFFFAOYSA-N

InChi Code

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 Code

O=C(C1=C2N=CC(F)=CN2N=C1N)NC3=C(N4CCC(C(N5CCN(C6COC6)CC5)=O)CC4)C(F)=CN=C3

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>3 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Note: structure was from below web page: http://www.x-mobio.com/xmdetailpro.php?id=830, also Sci-finder

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 541.56 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Jo U, Senatorov IS, Zimmermann A, Saha LK, Murai Y, Kim SH, Rajapakse VN, Elloumi F, Takahashi N, Schultz CW, Thomas A, Zenke FT, Pommier Y. Novel and Highly Potent ATR Inhibitor M4344 Kills Cancer Cells With Replication Stress, and Enhances the Chemotherapeutic Activity of Widely Used DNA Damaging Agents. Mol Cancer Ther. 2021 Aug;20(8):1431-1441. doi: 10.1158/1535-7163.MCT-20-1026. Epub 2021 May 27. PMID: 34045232. 2: Jo U, Murai Y, Chakka S, Chen L, Cheng K, Murai J, Saha LK, Miller Jenkins LM, Pommier Y. SLFN11 promotes CDT1 degradation by CUL4 in response to replicative DNA damage, while its absence leads to synthetic lethality with ATR/CHK1 inhibitors. Proc Natl Acad Sci U S A. 2021 Feb 9;118(6):e2015654118. doi: 10.1073/pnas.2015654118. PMID: 33536335; PMCID: PMC8017720. 3: Gorecki L, Andrs M, Rezacova M, Korabecny J. Discovery of ATR kinase inhibitor berzosertib (VX-970, M6620): Clinical candidate for cancer therapy. Pharmacol Ther. 2020 Jun;210:107518. doi: 10.1016/j.pharmthera.2020.107518. Epub 2020 Feb 26. PMID: 32109490. 4: Bradbury A, Hall S, Curtin N, Drew Y. Targeting ATR as Cancer Therapy: A new era for synthetic lethality and synergistic combinations? Pharmacol Ther. 2020 Mar;207:107450. doi: 10.1016/j.pharmthera.2019.107450. Epub 2019 Dec 11. PMID: 31836456. 5: Alexov E, Miksovska J, Baciou L, Schiffer M, Hanson DK, Sebban P, Gunner MR. Modeling the effects of mutations on the free energy of the first electron transfer from QA- to QB in photosynthetic reaction centers. Biochemistry. 2000 May 23;39(20):5940-52. doi: 10.1021/bi9929498. PMID: 10821665.