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Chemical structure of KRAS G12D inhibitor 14

GC69339

KRAS G12D inhibitor 14

Also known as 4-(2,5-diazabicyclo[2.2.2]octan-2-yl)-6-[2-methoxy-5-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine

KRAS G12D inhibitor 14 is an effective inhibitor of KRAS G12D, with a binding affinity (KD) to the KRAS G12D protein of 33 nM· It reduces the activity of KRAS G12D (KRAS G12D-GTP), but does not reduce that of KRAS G13D

ChemicalCAS2765254-39-3MW420.45FormulaC20H19F3N4OS
CAS number
2765254-39-3
Molecular weight
420.45
Formula
C20H19F3N4OS
InChIKey
DYYANULKLUNJSO-UHFFFAOYSA-N
Catalogue number
GC69339
Brand
GLPBIO
Computed properties PubChem CID 163196413 · XLogP 4.5 · TPSA 78.5 Ų · H-bond donors 1
XLogP
4.5
TPSA
78.5 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
3
Heavy atoms
29

SMILES COC1=C(C=C(C=C1)C(F)(F)F)C2=CC3=C(N=CN=C3S2)N4CC5CCC4CN5

Computed descriptors from PubChem (CID 163196413), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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