WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H207177
CAS#: 2417917-17-8 (atropisomers)
Description: GDC6036 atropisomers contained GDC6036 two atropisomers. GDC-6036, also known as 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.
Hodoodo Cat#: H207177
Name: GDC6036 atropisomers
CAS#: 2417917-17-8 (atropisomers)
Chemical Formula: C29H32ClF4N7O2
Exact Mass: 621.22
Molecular Weight: 622.066
Elemental Analysis: C, 55.99; H, 5.19; Cl, 5.70; F, 12.22; N, 15.76; O, 5.14
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Related CAS #: 2417987-45-0 (active atropisomer) 2417917-17-8 (atropisomers)
Synonym: GDC6036 atropisomers; GDC-6036; GDC 6036; GDC6036; RG6330; RG-6330; RG 6330;
IUPAC/Chemical Name: 2-Propen-1-one, 1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[[(2S)-1-methyl-2-pyrrolidinyl]methoxy]-4-quinazolinyl]-3-methyl-1-piperazinyl]-
InChi Key: ZRBPIAWWRPFDPY-IRXDYDNUSA-N
InChi Code: InChI=1S/C29H32ClF4N7O2/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/h5,11-12,16-17H,1,6-10,13-14H2,2-4H3,(H2,35,36)/t16-,17-/m0/s1
SMILES Code: C=CC(N1C[C@H](C)N(C2=C3C=C(Cl)C(C4=NC(N)=CC(C)=C4C(F)(F)F)=C(F)C3=NC(OC[C@H]5N(C)CCC5)=N2)CC1)=O
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: 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:
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The following data is based on the product molecular weight 622.07 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 |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
