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PHI-101

CAT: 0607-BA8962-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8962-1Size:1 mg
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CAS Number
2127107-15-5
Form
A solid
Molecular Formula
C19H19FN4O2S
Molecular Weight
386.44
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Lsmotinib

Lasmotinib is an orally bioavailable inhibitor of checkpoint kinase 2 (chk2), with potential antineoplastic and chemopotentiating activities. Upon oral administration, lasmotinib binds to and inhibits the activity of chk2, which may prevent the repair of DNA damage caused by DNA-damaging agents. This may result in tumor cell apoptosis and potentiate the antitumor efficacies of various chemotherapeutic agents. Chk2, an ATP-dependent serine-threonine kinase, is a key component in the DNA replication-monitoring checkpoint system and is activated by double-stranded breaks (DSBs); activated chk2 is overexpressed by a variety of cancer cell types.

CAS Number2127107-15-5
PubChem CID130358571
IUPAC Name3-(carbamoylamino)-5-[2-(3-fluorophenyl)ethynyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
Molecular FormulaC19H19FN4O2S
Molecular Weight386.4
XLogP2.6
Topological Polar Surface Area124
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity619
SMILES
C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C#CC3=CC(=CC=C3)F)NC(=O)N
InChI
InChI=1S/C19H19FN4O2S/c20-13-4-1-3-12(9-13)6-7-15-10-16(24-19(21)26)17(27-15)18(25)23-14-5-2-8-22-11-14/h1,3-4,9-10,14,22H,2,5,8,11H2,(H,23,25)(H3,21,24,26)/t14-/m0/s1
InChIKey
ULVAGWVTXBTFRN-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of Lsmotinib
CAS: 2127107-15-5
CID: 130358571
Formula: C19H19FN4O2S
MW: 386.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.4
XLogP32.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass386.12127520
Monoisotopic Mass386.12127520
Topological Polar Surface Area124 Ų
Heavy Atom Count27
Formal Charge0
Complexity619
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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