MedKoo Cat#: 124772 | Name: Divarasib adipate

Description:

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

Divarasib, also known as GDC-6036 and RG6330, is an orally bioavailable, highly potent and selective KRAS G12C inhibitor, with a median IC50 in the sub-nanomolar range and greater than 18,000-fold selectivity for G12C versus non-G12C cell lines. GDC-6036 demonstrates greater potency and selectivity compared with other KRAS G12C inhibitors in vitro, and complete tumor growth inhibition in multiple KRAS G12C-positive cell lines and in xenograft mouse models. We will highlight the research program that led to the discovery and optimization of GDC-6036, which is currently in clinical development.

Chemical Structure

Divarasib adipate
Divarasib adipate
CAS#2762240-36-6 (adipate)

Theoretical Analysis

MedKoo Cat#: 124772

Name: Divarasib adipate

CAS#: 2762240-36-6 (adipate)

Chemical Formula: C35H42ClF4N7O6

Exact Mass: 0.0000

Molecular Weight: 768.21

Elemental Analysis: C, 54.72; H, 5.51; Cl, 4.61; F, 9.89; N, 12.76; O, 12.50

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.
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Synonym
Divarasib adipate; GDC-6036; GDC 6036; GDC6036; RG6330; RG-6330; RG 6330; Divarasib;
IUPAC/Chemical Name
1-((S)-4-(7-((R)-6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-6-chloro-8-fluoro-2-(((S)-1-methylpyrrolidin-2-yl)methoxy)quinazolin-4-yl)-3-methylpiperazin-1-yl)prop-2-en-1-one adipate
InChi Key
KUWNSHZGOCXVAI-QJHJCNPRSA-N
InChi Code
InChI=1S/C29H32ClF4N7O2.C6H10O4/c1-5-21(42)40-9-10-41(16(3)13-40)27-18-12-19(30)22(26-23(29(32,33)34)15(2)11-20(35)36-26)24(31)25(18)37-28(38-27)43-14-17-7-6-8-39(17)4;7-5(8)3-1-2-4-6(9)10/h5,11-12,16-17H,1,6-10,13-14H2,2-4H3,(H2,35,36);1-4H2,(H,7,8)(H,9,10)/t16-,17-;/m0./s1
SMILES Code
NC1=N[C@]([C@]2=C(Cl)C=C3C(N=C(OC[C@H]4N(C)CCC4)N=C3N5[C@@H](C)CN(C(C=C)=O)CC5)=C2F)=C(C(F)(F)F)C(C)=C1.O=C(O)CCCCC(O)=O
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 768.21 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.

Recalculate based on batch purity %
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: Sacher A, LoRusso P, Patel MR, Miller WH Jr, Garralda E, Forster MD, Santoro A, Falcon A, Kim TW, Paz-Ares L, Bowyer S, de Miguel M, Han SW, Krebs MG, Lee JS, Cheng ML, Arbour K, Massarelli E, Choi Y, Shi Z, Mandlekar S, Lin MT, Royer- Joo S, Chang J, Dharia NV, Schutzman JL, Desai J; GO42144 Investigator and Study Group. Single-Agent Divarasib (GDC-6036) in Solid Tumors with a KRAS G12C Mutation. N Engl J Med. 2023 Aug 24;389(8):710-721. doi: 10.1056/NEJMoa2303810. PMID: 37611121. 2: Desai J, Alonso G, Kim SH, Cervantes A, Karasic T, Medina L, Shacham-Shmueli E, Cosman R, Falcon A, Gort E, Guren T, Massarelli E, Miller WH Jr, Paz-Ares L, Prenen H, Amatu A, Cremolini C, Kim TW, Moreno V, Ou SI, Passardi A, Sacher A, Santoro A, Stec R, Ulahannan S, Arbour K, Lorusso P, Luo J, Patel MR, Choi Y, Shi Z, Mandlekar S, Lin MT, Royer-Joo S, Chang J, Jun T, Dharia NV, Schutzman JL; GO42144 Investigator and Study Group; Han SW. Divarasib plus cetuximab in KRAS G12C-positive colorectal cancer: a phase 1b trial. Nat Med. 2024 Jan;30(1):271-278. doi: 10.1038/s41591-023-02696-8. Epub 2023 Dec 5. PMID: 38052910; PMCID: PMC10803265. 3: Brazel D, Nagasaka M. Divarasib in the Evolving Landscape of KRAS G12C Inhibitors for NSCLC. Target Oncol. 2024 May;19(3):297-301. doi: 10.1007/s11523-024-01055-y. Epub 2024 May 13. PMID: 38739329; PMCID: PMC11111488. 4: Divarasib Plus Cetuximab Is Safe and Has Efficacy in Colorectal Cancer. Cancer Discov. 2023 Dec 21:OF1. doi: 10.1158/2159-8290.CD-RW2023-200. Epub ahead of print. PMID: 38126770. 5: Romero D. Early promising results with the novel KRASG12C inhibitor divarasib. Nat Rev Clin Oncol. 2023 Nov;20(11):733. doi: 10.1038/s41571-023-00817-3. PMID: 37673947. 6: Choi Y, Dharia NV, Jun T, Chang J, Royer-Joo S, Yau KK, Assaf ZJ, Aimi J, Sivakumar S, Montesion M, Sacher A, LoRusso P, Desai J, Schutzman JL, Shi Z; and the GO42144 study group. Circulating Tumor DNA Dynamics Reveal KRAS G12C Mutation Heterogeneity and Response to Treatment with the KRAS G12C Inhibitor Divarasib in Solid Tumors. Clin Cancer Res. 2024 Sep 3;30(17):3788-3797. doi: 10.1158/1078-0432.CCR-24-0255. PMID: 38995268; PMCID: PMC11369623.