Description
Key facts
CAS number:956697-53-3,
Form:SolidSee storage information,
Molecular weight:485.5 Da,
Molecular formula:C26H26F3N3O3,
PubChem:24775005,
Nature:Synthetic,
Solubility:Soluble in DMSO to 50 mM,
Biochemical name:Sonidegib,
Biological description:Potent and selective Smoothened antagonist. Blocks Hedgehog signaling pathway activity (IC50 = 1.3 nM (mouse) and 2.5 nM (human) in cell-free assays. Anti-tumor activity in mouse medulloblastoma allograft model.,
Canonical smiles:CC1CN(CC(O1)C)C2=NC=C(C=C2)NC(=O)C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F,
Isomeric smiles:C[C@@H]1CN(C[C@@H](O1)C)C2=NC=C(C=C2)NC(=O)C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F,
InChi:InChI=1S/C26H26F3N3O3/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29/h4-13,16-17H,14-15H2,1-3H3,(H,31,33)/t16-,17+,
InChiKey:VZZJRYRQSPEMTK-CALCHBBNSA-N,
IUPAC Name:N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide
Properties and Storage Information:
Shipped at conditions-Ambient - Can Ship with Ice, Appropriate short-term storage conditions--20°C, Appropriate long-term storage conditions--20°C
