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
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
Appearance: White solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO, not in water
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
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.
