MedKoo Cat#: 207177 | Name: GDC6036 atropisomers

Description:

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

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.

Chemical Structure

GDC6036 atropisomers
GDC6036 atropisomers
CAS#2417917-17-8 (atropisomers)

Theoretical Analysis

MedKoo Cat#: 207177

Name: GDC6036 atropisomers

CAS#: 2417917-17-8 (atropisomers)

Chemical Formula: C29H32ClF4N7O2

Exact Mass: 621.2242

Molecular Weight: 622.07

Elemental Analysis: C, 55.99; H, 5.19; Cl, 5.70; F, 12.22; N, 15.76; O, 5.14

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
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

Preparing Stock Solutions

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.

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