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Chemical structure of 1A-116

GC32770

1A-116

Also known as 1-(3,5-dimethylphenyl)-2-[2-(trifluoromethyl)phenyl]guanidine

1A-116, a potent Rac1 inhibitor, is specific for W56 residues, can prevent EGF-induced Rac1 activation and block Rac1-P-Rex1 interaction· 1A-116 can induce apoptosis and inhibit cell proliferation, migration and cycle progression in a concentration-dependent manner· 1A-116 also demonstrates a high antimetastatic activity in vivo

ChemicalCAS1430208-73-3MW307.31FormulaC16H16F3N3
CAS number
1430208-73-3
Molecular weight
307.31
Formula
C16H16F3N3
Solubility
DMSO ： 100 mg/mL (325·40 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
DVIJFJSZZNOTLP-UHFFFAOYSA-N
Catalogue number
GC32770
Brand
GLPBIO
Computed properties PubChem CID 71543346 · XLogP 4 · TPSA 50.4 Ų · H-bond donors 2
XLogP
4
TPSA
50.4 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22

SMILES CC1=CC(=CC(=C1)NC(=NC2=CC=CC=C2C(F)(F)F)N)C

Computed descriptors from PubChem (CID 71543346), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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