Taladegib
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    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.


Chemical Structure

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Taladegib
CAS# 1258861-20-9 (free base)

Theoretical Analysis

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

Price and Availability

Size Price Availability Quantity
100.0mg USD 850.0 2 Weeks
200.0mg USD 1450.0 2 Weeks
500.0mg USD 2150.0 2 Weeks
1.0g USD 3150.0 2 Weeks
2.0g USD 5250.0 2 Weeks
5.0g USD 7950.0 2 Weeks
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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

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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

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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.

Taladegib

100.0mg / USD 850.0