Description
Key facts
CAS number:1059734-66-5,
Form:SolidSee storage information,
Molecular weight:473.6 Da,
Molecular formula:C30H27N5O,
PubChem:57662985,
Nature:Synthetic,
Solubility:Soluble in water to 5 mMSoluble in DMSO to 100 mMSoluble in ethanol to 10 mM (with warming and ultrasonic),
Biochemical name:N-(2-Methyl-5-((methylamino)methyl)phenyl)-4-((4-phenylquinazolin-2-yl)amino)benzamide,
Biological description:Potent Smoothened antagonist (IC50 = 5.8 nM). Blocks Hedgehog signaling in cell-based assays. Inhibits Gli1 and PTCH1 expression in cell lines. Reduces proliferation and induces apoptosis in tumor cellls.,
Canonical smiles:CC1=C(C=C(C=C1)CNC)NC(=O)C2=CC=C(C=C2)NC3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5,
InChi:InChI=1S/C30H27N5O/c1-20-12-13-21(19-31-2)18-27(20)33-29(36)23-14-16-24(17-15-23)32-30-34-26-11-7-6-10-25(26)28(35-30)22-8-4-3-5-9-22/h3-18,31H,19H2,1-2H3,(H,33,36)(H,32,34,35),
InChiKey:KLRRGBHZCJLIEL-UHFFFAOYSA-N,
IUPAC Name:N-[2-methyl-5-(methylaminomethyl)phenyl]-4-[(4-phenylquinazolin-2-yl)amino]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
