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AMP-945

CAT: 0127-BUP07951-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP07951-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1393653-34-3
Purity
=98%
Smiles
COc1cc(ccc1Nc1ncc(c(CCc2ccccc2CC(N)=O)n1)C(F)(F)F)C1CCN(C)CC1

Chemical Information

Narmafotinib

Narmafotinib is an orally bioavailable inhibitor of focal adhesion kinase 1 (FAK1; FAK; protein tyrosine kinase 2; PTK2), with potential antineoplastic activity. Upon oral administration, narmafotinib targets and inhibits FAK. This prevents FAK-mediated downstream signaling and inhibits migration, proliferation, invasion, and survival in FAK-overexpressing tumor cells. FAK, a non-receptor tyrosine kinase overexpressed in various tumor cell types, is involved in tumor cell survival, proliferation, migration and chemoresistance.

CAS Number1393653-34-3
PubChem CID60162119
IUPAC Name2-[2-[2-[2-[2-methoxy-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
Molecular FormulaC28H32F3N5O2
Molecular Weight527.6
XLogP4.6
Topological Polar Surface Area93.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count38
Formal Charge0
Complexity748
SMILES
CN1CCC(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)CCC4=CC=CC=C4CC(=O)N)C(F)(F)F)OC
InChI
InChI=1S/C28H32F3N5O2/c1-36-13-11-19(12-14-36)21-8-10-24(25(15-21)38-2)35-27-33-17-22(28(29,30)31)23(34-27)9-7-18-5-3-4-6-20(18)16-26(32)37/h3-6,8,10,15,17,19H,7,9,11-14,16H2,1-2H3,(H2,32,37)(H,33,34,35)
InChIKey
AWJVIOYPZZZYAX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Narmafotinib
CAS: 1393653-34-3
CID: 60162119
Formula: C28H32F3N5O2
MW: 527.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.6
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass527.25080977
Monoisotopic Mass527.25080977
Topological Polar Surface Area93.4 Ų
Heavy Atom Count38
Formal Charge0
Complexity748
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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