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Chemical structure of MRT-81

GC63336

MRT-81

Also known as 3,4,5-trimethoxy-N-[[4-methyl-3-[(4-phenylbenzoyl)amino]phenyl]carbamothioyl]benzamide

MRT-81 is a potent antagonist of human and rodent smoothened (Smo) receptors, with an IC50 value of 41 nM in the Shh-light2 cells· MRT-81 has potent hedgehog inhibiting activity· MRT-81 can be used for the research of cancer

ChemicalCAS1263132-08-6MW555.64FormulaC31H29N3O5S
CAS number
1263132-08-6
Molecular weight
555.64
Formula
C31H29N3O5S
InChIKey
CTXQODCQOSYYDE-UHFFFAOYSA-N
Catalogue number
GC63336
Brand
GLPBIO
Computed properties PubChem CID 56964692 · XLogP 6.3 · TPSA 130 Ų · H-bond donors 3
XLogP
6.3
TPSA
130 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
40

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

Computed descriptors from PubChem (CID 56964692), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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