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Chemical structure of SOS1 agonist-1

GC73461

SOS1 agonist-1

Also known as tert-butyl 6-[4-bromo-6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]benzimidazol-2-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate

SOS1 agonist-1 (compound 79) is an agonist for the Son of sevenless homologue SOS1

ChemicalCAS2245237-61-8MW563.89FormulaC26H29BrClFN4O2
CAS number
2245237-61-8
Molecular weight
563.89
Formula
C26H29BrClFN4O2
Solubility
DMSO ： 25 mg/mL (44·33 mM; ultrasonic and warming and heat to 60°C)
InChIKey
VXKBOSGNBGMADK-UHFFFAOYSA-N
Catalogue number
GC73461
Brand
GLPBIO
Computed properties PubChem CID 169448771 · XLogP 6.2 · TPSA 50.6 Ų · H-bond donors 0
XLogP
6.2
TPSA
50.6 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
35

SMILES CC1=CC(=CC(=C1F)C)CN2C3=C(C(=CC(=C3)Cl)Br)N=C2N4CC5(C4)CN(C5)C(=O)OC(C)(C)C

Computed descriptors from PubChem (CID 169448771), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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