Taladegib (LY2940680)

Alias: LY2940680; LY 2940680; LY-2940680

Cat No.:V1334 Purity: ≥98%

COA Product Data Instructions for use SDS

Taladegib (LY2940680) Chemical Structure CAS No.: 1258861-20-9
Product category: Hedgehog(Smoothened) ROCK

This product is for research use only, not for human use. We do not sell to patients.

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Citations by Top Journals: Nature, Cell, Science, etc.

Top Publications Citing lnvivochem Products

Nature 2021, 597(7874):119-125.

Cell 2020,183:1202-1218.e25.

Science Adv 2022: 8, eabm9427.

Nature 597, 119–125 (2021)

Cell Stem Cell 2020,26(6):845-861.e12.

Science Trans Med 2023,15(701):eadd7872.

STTT 2023,8(1):91.

Cell Reports 2023,42(4):112313

Science Trans Med 2023, 15: eadd7872.

Cancer Cell 2021,39(4):529-547.e7.

Cancer Discov 2022,12(4):1106-1127.

Immunity 2023,56(3):620-634.e11.

J Am Chem Soc 2022,144:21831-21836.

Cell 2020,183:1202-1218.e25.

Science Adv 2022:8,eabm9427.

Nature 2021,597(7874):119-125.

Cell 2020,183:1202-1218.e25.

PNAS Nexus 2022,1(3):pgac063.

ACS Nano 2023,17(10):9110-9125.

Biomaterial 2023 Sep16:302:122333.

Purity & Quality Control Documentation

Current batch：

Purity: ≥98%

COA

MSDS

Instructions

Product Description
Bioactivity & Protocols
Physicochemical Properties
Solubility Data
Calculators
Clinical Trial Information
Biological Data

Product Description

Taladegib (formerly LY2940680, LY 2940680, LY-2940680) is a potent and orally bioavailable Hedgehog pathway antagonist of the smoothened receptor being developed by Eli Lilly for the treatment of cancer. It blocks the Hedgehog (Hh) signaling pathway by attaching to the Smoothened (Smo) receptor. Taladegib possesses the potential to be applied to cancer patients who are vismodegib-resistant..

Biological Activity I Assay Protocols (From Reference)

Targets

Smoothened

ln Vitro

In vitro activity: LY2940680 prevents the growth of cancer in cell lines with a mutation in the gene encoding smoothened that scientists had seen in cancer patients who became resistant to vismodegib in the past.[1]

ln Vivo

LY2940680 possesses superior pharmacokinetic qualities in both rodent and non-rodent species. When given orally to Ptch+/-p53-/-transgenic mice that spontaneously develop medulloblastoma, LY2940680 exhibits remarkable efficacy and significantly increases the mice's survival rate. Via magnetic resonance imaging of these mice, LY2940680 demonstrates the quick kinetics of anti-tumor activity. Additionally, immunohistochemistry analysis of medulloblastoma tumors shows that LY2940680 induces Caspase-3 activity and decreases proliferation. In the subcutaneous xenograft tumor stroma, LY2940680 inhibits Hh regulated gene expression and exhibits strong anti-tumor activity.[2]

Animal Protocol

Oral

Mice

References

[1]. Expert Opin Investig Drugs . 2011 Dec;20(12):1649-64.

[2]. Cancer Research, 2011, Volume 71, Issue 8, Supplement1

These protocols are for reference only. InvivoChem does not independently validate these methods.

Physicochemical Properties

Molecular Formula

C26H24F4N6O

Molecular Weight

512.5

Exact Mass

512.19

Elemental Analysis

C, 60.93; H, 4.72; F, 14.83; N, 16.40; O, 3.12

CAS #

1258861-20-9

Related CAS #

1258861-20-9; 1258861-21-0 (HCl)

Appearance

White solid powder

SMILES

CN1C(=CC=N1)C2=NN=C(C3=CC=CC=C32)N4CCC(CC4)N(C)C(=O)C5=C(C=C(C=C5)F)C(F)(F)F

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

Chemical Name

4-fluoro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-2-(trifluoromethyl)benzamide

Synonyms

LY2940680; LY 2940680; LY-2940680

HS Tariff Code

2934.99.9001

Storage

Powder -20°C 3 years

4°C 2 years

In solvent -80°C 6 months

-20°C 1 month

Shipping Condition

Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Solubility Data

Solubility (In Vitro)

DMSO: 5~75 mg/mL (9.8~146.3 mM)

Water: <1 mg/mL

Ethanol: ~2 mg/mL (~3.9 mM)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.9512 mL	9.7561 mL	19.5122 mL
	5 mM	0.3902 mL	1.9512 mL	3.9024 mL
	10 mM	0.1951 mL	0.9756 mL	1.9512 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

Mass

Concentration

Volume

Molecular Weight*

Calculate Reset

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

Calculate the Mass of a compound required to prepare a solution of known volume and concentration
Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume

See Example

An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?

Enter 350.26 in the Molecular Weight (MW) box
Enter 10 in the Concentration box and choose the correct unit (mM)
Enter 5 in the Volume box and choose the correct unit (mL)
Click the “Calculate” button
The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Concentration (Start)

Volume (Start)

Concentration (End)

Volume (End)

Calculate Reset

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:

Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
Enter 25 into the Concentration (End) box and select the correct unit (mM)
Enter 25 into the Volume (End) box and choose the correct unit (mL)
Click the “Calculate” button
The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box

Molecular formula

Total molecular weight

g/mol

Calculate Reset

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4 c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:

To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.

Definitions of molecular mass, molecular weight, molar mass and molar weight:

Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration

Calculate Reset

Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
Click the “Calculate” button
The answer appears in the Volume (to add to vial) box

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)

Dosage mg/kg

Average weight of animals g

Dosing volume per animal μL

Number of animals

Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)

% DMSO

% Tween 80

% ddH₂O

Calculate Reset

Calculation results

Working concentration： mg/mL；

Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O，mix and clarify.

Note： (1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.

Clinical Trial Information

NCT Number	Recruitment	interventions	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT05199584	Active Recruiting	Drug: ENV-101 (taladegib)	Solid Tumors With PTCH1 Loss-of-function Mutations	Endeavor Biomedicines, Inc.	May 24, 2022	Phase 2
NCT04968574	Active Recruiting	Drug: taladegib Drug: placebo	Idiopathic Pulmonary Fibrosis	Endeavor Biomedicines, Inc.	August 26, 2021	Phase 2
NCT05817240	Completed	Drug: taladegib Drug: nintedanib	Idiopathic Pulmonary Fibrosis	Endeavor Biomedicines, Inc.	May 3, 2023	Phase 1
NCT01226485	Completed	Drug: Taladegib	Advanced Cancer	Eli Lilly and Company	September 2010	Phase 1
NCT02784795	Completed	Drug: Taladegib Drug: Abemaciclib	Solid Tumor Breast Cancer	Eli Lilly and Company	November 4, 2016	Phase 1

Biological Data

Effect of Sonic Hedgehog (Hg) pathway inhibitors on proliferation and apoptosis of mucin and mixed CCA primary cultures.PLoS One.2015 Nov 16;10(11):e0142124.