WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 205529
CAS#: 1258861-20-9 (free base)
Description: Taladegib, also known LY2940680, is a potent Hedgehog inhibitor with potential anticancer activity. LY2940680 inhibits cancer growth in cell lines containing a mutation in the gene encoding Smoothened that researchers had previously observed in patient with cancer who developed resistance to vismodegib.
MedKoo Cat#: 205529
Name: Taladegib
CAS#: 1258861-20-9 (free base)
Chemical Formula: C26H24F4N6O
Exact Mass:
Molecular Weight: 512.5
Elemental Analysis: C, 60.93; H, 4.72; F, 14.83; N, 16.40; O, 3.12
Taladegib (LY2940680), purity > 98%, is in stock. Current shipping out time is about 2 weeks after order is received. CoA, QC data and MSDS documents are available in one week after order is received. Delivery time: overnight (USA/Canada); 3-5 days (worldwide).
Related CAS #: 1258861-20-9 (free base) 1258861-21-0 (HCl)
Synonym: LY2940680, LY 2940680, LY-2940680, Taladegib
IUPAC/Chemical Name: 4-fluoro-N-methyl-N-(1-(4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl)piperidin-4-yl)-2-(trifluoromethyl)benzamide
InChi Key: SZBGQDXLNMELTB-UHFFFAOYSA-N
InChi Code: InChI=1S/C26H24F4N6O/c1-34(25(37)20-8-7-16(27)15-21(20)26(28,29)30)17-10-13-36(14-11-17)24-19-6-4-3-5-18(19)23(32-33-24)22-9-12-31-35(22)2/h3-9,12,15,17H,10-11,13-14H2,1-2H3
SMILES Code: O=C(N(C)C1CCN(C2=NN=C(C3=CC=NN3C)C4=C2C=CC=C4)CC1)C5=CC=C(F)C=C5C(F)(F)F
The following data is based on the product molecular weight 512.5 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
---|---|---|---|
1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
1: Bai Q, Shen Y, Jin N, Liu H, Yao X. Molecular modeling study on the dynamical structural features of human smoothened receptor and binding mechanism of antagonist LY2940680 by metadynamics simulation and free energy calculation. Biochim Biophys Acta. 2014 Mar 15. pii: S0304-4165(14)00114-7. doi: 10.1016/j.bbagen.2014.03.010. [Epub ahead of print] PubMed PMID: 24637074.