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Chemical structure of Hh-Ag1·5

GC64134

Hh-Ag1·5

Also known as 3-chloro-4,7-difluoro-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide

Hh-Ag1·5 (SAg1·5) is a potent Hedgehog (Hh) agonist with an EC50 of 1 nM

ChemicalCAS612542-14-0MW526.04FormulaC28H26ClF2N3OS
CAS number
612542-14-0
Molecular weight
526.04
Formula
C28H26ClF2N3OS
Solubility
DMSO ： 50 mg/mL (95·05 mM; Need ultrasonic)
InChIKey
RXZDWPYJFCAZCW-UHFFFAOYSA-N
Catalogue number
GC64134
Brand
GLPBIO
Computed properties PubChem CID 44195701 · XLogP 6.5 · TPSA 73.5 Ų · H-bond donors 1
XLogP
6.5
TPSA
73.5 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
36

SMILES CNC1CCC(CC1)N(CC2=CC(=CC=C2)C3=CC=NC=C3)C(=O)C4=C(C5=C(C=CC(=C5S4)F)F)Cl

Computed descriptors from PubChem (CID 44195701), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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