MedKoo Cat#: 462480 | Name: c-Kit-IN-3

Description:

WARNING: This product is for research use only, not for human or veterinary use.

c-Kit-IN-3 is a potent and selective c-KIT kinase inhibitor. c-Kit-IN-3 displays great potencies against most of the gain-of function mutations in the juxtamembrane domain, drugresistant mutations in the ATP binding pocket, and activation loops.

Chemical Structure

c-Kit-IN-3
c-Kit-IN-3
CAS#2363169-01-9

Theoretical Analysis

MedKoo Cat#: 462480

Name: c-Kit-IN-3

CAS#: 2363169-01-9

Chemical Formula: C26H20ClF3N2O4

Exact Mass: 516.1064

Molecular Weight: 516.90

Elemental Analysis: C, 60.42; H, 3.90; Cl, 6.86; F, 11.03; N, 5.42; O, 12.38

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Synonym
c-Kit-IN-3; c-Kit IN 3; c-Kit IN-3; c-Kit-IN 3
IUPAC/Chemical Name
2-(4-chloro-3-(trifluoromethyl)phenyl)-N-(4-((6,7-dimethoxyquinolin-4-yl)oxy)phenyl)acetamide
InChi Key
YOHLRCOPRAVUCJ-UHFFFAOYSA-N
InChi Code
InChI=1S/C26H20ClF3N2O4/c1-34-23-13-18-21(14-24(23)35-2)31-10-9-22(18)36-17-6-4-16(5-7-17)32-25(33)12-15-3-8-20(27)19(11-15)26(28,29)30/h3-11,13-14H,12H2,1-2H3,(H,32,33)
SMILES Code
O=C(NC1=CC=C(OC2=CC=NC3=CC(OC)=C(OC)C=C23)C=C1)CC4=CC=C(Cl)C(C(F)(F)F)=C4
Appearance
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
Shelf Life
>3 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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 516.90 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
1: Wu Y, Wang B, Wang J, et al. Discovery of 2-(4-Chloro-3-(trifluoromethyl)phenyl)-N-(4-((6,7-dimethoxyquinolin-4-yl)oxy)phenyl)acetamide (CHMFL-KIT-64) as a Novel Orally Available Potent Inhibitor against Broad-Spectrum Mutants of c-KIT Kinase for Gastrointestinal Stromal Tumors. J Med Chem. 2019;62(13):6083-6101. doi:10.1021/acs.jmedchem.9b00280