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CHMFL-KIT-033

CAT: 0804-HY-128589-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-128589-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CHMFL-KIT-033 is a potent and selective inhibitor of c-KIT T670I mutant for gastrointestinal stromal tumors (GISTs), with an IC50 of 0.045 μM[1].
CAS Number
2351801-41-5
UNSPSC
12352005
Target
C-Kit
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/chmfl-kit-033.html
Concentration
10mM
Purity
99.74
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(CC(NC1=CC=CC(F)=C1)=O)NC2=CC(NN=C3/C=C/C4=CC=CC=N4)=C3C=C2
Molecular Formula
C23H18FN5O2
Molecular Weight
415.42
References & Citations
[1]Liu X, et al. Discovery of (E) - N1- (3-Fluorophenyl) - N3- (3- (2- (pyridin-2-yl) vinyl) -1 H-indazol-6-yl) malonamide (CHMFL-KIT-033) as a Novel c-KIT T670I Mutant Selective Kinase Inhibitor for Gastrointestinal Stromal Tumors (GISTs) . J Med Chem. 2019 May 23;62 (10) :5006-5024.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Chmfl-kit-033
CAS Number2351801-41-5
PubChem CID138454794
IUPAC NameN-(3-fluorophenyl)-N'-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]propanediamide
Molecular FormulaC23H18FN5O2
Molecular Weight415.4
XLogP4.2
Topological Polar Surface Area99.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity660
SMILES
C1=CC=NC(=C1)/C=C/C2=NNC3=C2C=CC(=C3)NC(=O)CC(=O)NC4=CC(=CC=C4)F
InChI
InChI=1S/C23H18FN5O2/c24-15-4-3-6-17(12-15)26-22(30)14-23(31)27-18-7-9-19-20(28-29-21(19)13-18)10-8-16-5-1-2-11-25-16/h1-13H,14H2,(H,26,30)(H,27,31)(H,28,29)/b10-8+
InChIKey
OLZDZYHEIBZXCI-CSKARUKUSA-N
Chemical Structure
2D Structure
2D structure of Chmfl-kit-033
CAS: 2351801-41-5
CID: 138454794
Formula: C23H18FN5O2
MW: 415.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.4
XLogP34.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass415.14445300
Monoisotopic Mass415.14445300
Topological Polar Surface Area99.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity660
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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