SAG hydrochloride, Smo activator

Key facts

CAS number

912545-86-9

Purity

>98%

Form

Solid

form

Molecular weight

562.98 g/mol

Molecular formula

C₂₈H₂₈ClN₃OS.₂HCl

Nature

Synthetic

Solubility

Soluble in water to 100 mM

Biological description

Potent Smo activator (EC₅₀ = 3 nM, NIH 3T3-derived Shh-LIGHT2 cells). Interacts with the heptahelical domain (K_d = 59 nM). Behaves as an activator at low concentrations and as an inhibitor at high concentrations. Water soluble version of SAG (ab142160).

Isomeric smiles

CL.CL.CN[C@H]1CC[C@@H](CC1)N(CC2CCC(CC2)C3CCNCC3)C(=O)C5SC4CCCCC4C5CL

InChi

InChI=1S/C28H28ClN3OS.2ClH/c1-30-22-10-12-23(13-11-22)32(28(33)27-26(29)24-4-2-3-5-25(24)34-27)18-19-6-8-20(9-7-19)21-14-16-31-17-15-21;;/h2-9,14-17,22-23,30H,10-13,18H2,1H3;2*1H/t22-,23-;;

InChiKey

BJJLNIXTQTXWIS-MCXZQIONSA-N

IUPAC Name

3-Chloro-N-[trans-4-(methylamino)cyclohexyl]-N-[[3-(4-pyridinyl)phenyl]methyl]benzo[b]thiophene-2-carboxamide dihydrochloride