PHI-101

CAT: 0607-BA8962-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8962-10Size:10 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 Number	2127107-15-5
PubChem CID	130358571
IUPAC Name	3-(carbamoylamino)-5-[2-(3-fluorophenyl)ethynyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
Molecular Formula	C19H19FN4O2S
Molecular Weight	386.4
XLogP	2.6
Topological Polar Surface Area	124
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	619

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

CAS: 2127107-15-5

CID: 130358571

Formula: C19H19FN4O2S

MW: 386.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	386.4
XLogP3	2.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	386.12127520
Monoisotopic Mass	386.12127520
Topological Polar Surface Area	124 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	619
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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