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PND-1186 hydrochloride

CAT: 0931-T63794-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T63794-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1356154-94-3
Target
FAK, Others, Apoptosis
Related Pathways
Others, Angiogenesis, Apoptosis, Cytoskeletal Signaling, Tyrosine Kinase/Adaptors
Bioactivity
PND-1186 hydrochloride (VS-4718 hydrochloride) is a highly specific, reversible, and potent FAK inhibitor (IC50: 1.5 nM) that can selectively induce apoptosis in tumor cells.
Smiles
Cl.CNC(=O)c1ccccc1Nc1cc(Nc2ccc(cc2OC)N2CCOCC2)ncc1C(F)(F)F
Molecular Formula
C25H27ClF3N5O3
Molecular Weight
537.97
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(2-(2-Methoxy-4-morpholinophenylamino)-5-(trifluoromethyl)pyridine-4-ylamino)-N-methylbenzamide hydrochloride
CAS Number1356154-94-3
PubChem CID56654067
IUPAC Name2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;hydrochloride
Molecular FormulaC25H27ClF3N5O3
Molecular Weight538.0
Topological Polar Surface Area87.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity709
SMILES
CNC(=O)C1=CC=CC=C1NC2=CC(=NC=C2C(F)(F)F)NC3=C(C=C(C=C3)N4CCOCC4)OC.Cl
InChI
InChI=1S/C25H26F3N5O3.ClH/c1-29-24(34)17-5-3-4-6-19(17)31-21-14-23(30-15-18(21)25(26,27)28)32-20-8-7-16(13-22(20)35-2)33-9-11-36-12-10-33;/h3-8,13-15H,9-12H2,1-2H3,(H,29,34)(H2,30,31,32);1H
InChIKey
OWQFAUOQRRIFLB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-(2-Methoxy-4-morpholinophenylamino)-5-(trifluoromethyl)pyridine-4-ylamino)-N-methylbenzamide hydrochloride
CAS: 1356154-94-3
CID: 56654067
Formula: C25H27ClF3N5O3
MW: 538.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight538.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass537.1754519
Monoisotopic Mass537.1754519
Topological Polar Surface Area87.8 Ų
Heavy Atom Count37
Formal Charge0
Complexity709
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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HY-13917A-01PND-1186 (hydrochloride)
462750-01PND-1186
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