WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H124133
CAS#: 2489226-14-2
Description: AZD4747 is a Potent and Selective Inhibitor of Mutant GTPase KRASG12C with Demonstrable CNS Penetration. AZD4747 is a clinical development candidate for the treatment of KRASG12C-positive tumors, including the treatment of central nervous system (CNS) metastases.
Hodoodo Cat#: H124133
Name: AZD4747
CAS#: 2489226-14-2
Chemical Formula: C24H22ClFN2O3
Exact Mass: 440.13
Molecular Weight: 440.900
Elemental Analysis: C, 65.38; H, 5.03; Cl, 8.04; F, 4.31; N, 6.35; O, 10.89
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Synonym: AZD4747; AZD-4747; AZD 4747
IUPAC/Chemical Name: 1-((R)-9-((S)-2-chloro-6-hydroxyphenyl)-10-fluoro-8-(prop-1-yn-1-yl)-3,4,12,12a-tetrahydro-6H-benzo[f]pyrazino[2,1-c][1,4]oxazepin-2(1H)-yl)prop-2-en-1-one
InChi Key: CNQOLVBNICGIJB-QGZVFWFLSA-N
InChi Code: InChI=1S/C24H22ClFN2O3/c1-3-6-15-11-16-12-27-9-10-28(20(30)4-2)13-17(27)14-31-24(16)23(26)21(15)22-18(25)7-5-8-19(22)29/h4-5,7-8,11,17,29H,2,9-10,12-14H2,1H3/t17-/m1/s1
SMILES Code: FC1=[C@@](C(C#CC)=CC2=C1OC[C@@H]3N(CCN(C(C=C)=O)C3)C2)[C@@]4=C(Cl)C=CC=C4O
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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 440.90 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: |
Kettle JG, Bagal SK, Barratt D, Bodnarchuk MS, Boyd S, Braybrooke E, Breed J, Cassar DJ, Cosulich S, Davies M, Davies NL, Deng C, Eatherton A, Evans L, Feron LJ, Fillery S, Gleave ES, Goldberg FW, Cortés González MA, Guerot C, Haider A, Harlfinger S, Howells R, Jackson A, Johnström P, Kemmitt PD, Koers A, Kondrashov M, Lamont GM, Lamont S, Lewis HJ, Liu L, Mylrea M, Nash S, Niedbala MJ, Peter A, Phillips C, Pike K, Raubo P, Robb GR, Ross S, Sanders MG, Schou M, Simpson I, Steward O. Discovery of AZD4747, a Potent and Selective Inhibitor of Mutant GTPase KRASG12C with Demonstrable CNS Penetration. J Med Chem. 2023 Jul 3. doi: 10.1021/acs.jmedchem.3c00746. Epub ahead of print. PMID: 37395055.