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Chemical structure of Pan-RAS-IN-4

GC75791

Pan-RAS-IN-4

Also known as 13-[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-5-methyl-5,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-6-one

Pan-RAS-IN-4 (compound 2) is a potent inhibitor of RAS, with the IC50 of ＜ 100 nM for KRAS G12D

ChemicalCAS3024060-23-6MW698.8FormulaC38H44F2N8O3
CAS number
3024060-23-6
Molecular weight
698.8
Formula
C38H44F2N8O3
Solubility
DMSO： 50 mg/mL (71·55 mM; Need ultrasonic)
InChIKey
RBXYRZINWSBDRK-RJNCKGSUSA-N
Catalogue number
GC75791
Brand
GLPBIO
Computed properties PubChem CID 171714326 · XLogP 5.1 · TPSA 103 Ų · H-bond donors 1
XLogP
5.1
TPSA
103 Ų
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
6
Heavy atoms
51

SMILES CCC1=C(C=CC2=CC(=CC(=C21)N3CCC4=C(C3)N=C(N=C4N5CCCN6C(=C7CCN(C(=O)C7=N6)C)C5)OC[C@@]89CCCN8C[C@@H](C9)F)O)F

Computed descriptors from PubChem (CID 171714326), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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