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Chemical structure of SOS1-IN-14

GC65873

SOS1-IN-14

Also known as 1-[(7S)-17-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-15-methyl-10-oxa-2,5,14,16-tetrazatetracyclo[9.8.0.02,7.013,18]nonadeca-1(11),12,14,16,18-pentaene-5-carbonyl]cyclopropane-1-carbonitrile

SOS1-IN-14 is a potent, selective and orally active SOS1 inhibitor with an IC50 value of 3·9 nM· SOS1-IN-14 can be absorbed in the intestine via a P-glycoprotein-mediated efflux mechanism· SOS1-IN-14 can be used to research KRAS-mutated cancers· SOS1-IN-14 has better potent tumor suppression than BI-3406 (HY-125817)

ChemicalCAS2793405-20-4MW550.57FormulaC29H29F3N6O2
CAS number
2793405-20-4
Molecular weight
550.57
Formula
C29H29F3N6O2
Solubility
DMSO ： 250 mg/mL (454·07 mM; Need ultrasonic)
InChIKey
UVNQICXVXBBWBT-AEFFLSMTSA-N
Catalogue number
GC65873
Brand
GLPBIO
Computed properties PubChem CID 165413022 · XLogP 4.7 · TPSA 94.4 Ų · H-bond donors 1
XLogP
4.7
TPSA
94.4 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
5
Heavy atoms
40

SMILES CC1=NC2=CC3=C(C=C2C(=N1)N[C@H](C)C4=C(C(=CC=C4)C(F)F)F)N5CCN(C[C@@H]5CCO3)C(=O)C6(CC6)C#N

Computed descriptors from PubChem (CID 165413022), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
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