MRT-81 is a potent antagonist of the human and rodent smoothened (Smo) receptor with an IC50 of 41 nM in Shh-light2 cells and strong hedgehog (Hh) pathway inhibitory activity.

 

Brand: BCM

 

Target: Shh-light2 cells Smo receptors:41 nM (IC50)

 

Signaling Pathways: Others

 

Solubility: Soluble in DMSO. Insoluble in Ethanol; insoluble in Water.

 

Isomeric SMILES: CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4  

 

InChIKey: CTXQODCQOSYYDE-UHFFFAOYSA-N  

 

InChI: InChI=1S/C31H29N3O5S/c1-19-10-15-24(32-31(40)34-30(36)23-16-26(37-2)28(39-4)27(17-23)38-3)18-25(19)33-29(35)22-13-11-21(12-14-22)20-8-6-5-7-9-20/h5-18H,1-4H3,(H,33,35)(H2,32,34,36,40)

 

Attribute
[Chem Name]	3,4,5-trimethoxy-N-[[4-methyl-3-[(4-phenylbenzoyl)amino]phenyl]carbamothioyl]benzamide
[Synonym]	MRT-81
[CAS No.]	1263132-08-6
[Formula]	C31H29N3O5S
[Molecular]	555.64
[Form]	Solid
[Storage]	Store at -20°C

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