GDC6036 atropisomers

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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.


Chemical Structure

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

Theoretical Analysis

Hodoodo Cat#: H207177
Name: GDC6036 atropisomers
CAS#: 2417917-17-8 (atropisomers)
Chemical Formula: C29H32ClF4N7O2
Exact Mass: 621.2242
Molecular Weight: 622.0656
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 not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @hodoodo.com or click below button.
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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

Instruction:

Preparing Stock Solutions

The following data is based on the product molecular weight 622.0656 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

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