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Chemical structure of Pan-RAS-IN-3

GC74041

Pan-RAS-IN-3

Also known as 13-[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-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-3 is a pan-Ras inhibitor, and can be used for study of melanoma and acute myeloid leukaemia

ChemicalCAS3034588-80-9MW712.76FormulaC38H39F3N8O3
CAS number
3034588-80-9
Molecular weight
712.76
Formula
C38H39F3N8O3
Solubility
DMSO ： ≥ 100 mg/mL (140·30 mM)
InChIKey
NFEQUMGYAOJMRA-HHSLBVOYSA-N
Catalogue number
GC74041
Brand
GLPBIO
Computed properties PubChem CID 171714325 · XLogP 5.5 · TPSA 113 Ų · H-bond donors 1
XLogP
5.5
TPSA
113 Ų
H-bond donors
1
H-bond acceptors
12
Rotatable bonds
6
Heavy atoms
52

SMILES CCC1=C(C=CC2=CC(=CC(=C21)C3=NC=C4C(=C3F)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 171714325), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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