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A 62176

CAT: 0013-GTR19198429-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198429-02Size:50 mg
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Description
A 62176 is a potent small molecule topoisomerase inhibitor with anticancer properties. It is used in cancer research to study cell death mechanisms and has demonstrated activity in both in vitro cytotoxicity assays and in vivo tumor model studies.
CAS Number
148201-53-0
Smiles
Cl.NC1CCN (C1) c1c (F) cc2c3c1oc1ccccc1n3cc (C (O) =O) c2=O
Molecular Formula
C20H17ClFN3O4
Molecular Weight
417.82
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

A 62176

InChIKey: OLNJLTFSGFZCKE-JTQLQIEISA-N

CAS Number148201-53-0
PubChem CID132823
IUPAC Name10-(2-aminopyrrolidin-1-yl)-11-fluoro-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxylic acid;hydrochloride
Molecular FormulaC20H17ClFN3O4
Molecular Weight417.8
Topological Polar Surface Area96.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity716
SMILES
C1CC(N(C1)C2=C(C=C3C4=C2OC5=CC=CC=C5N4C=C(C3=O)C(=O)O)F)N.Cl
InChI
InChI=1S/C20H16FN3O4.ClH/c21-12-8-10-16-19(17(12)23-7-3-6-15(23)22)28-14-5-2-1-4-13(14)24(16)9-11(18(10)25)20(26)27;/h1-2,4-5,8-9,15H,3,6-7,22H2,(H,26,27);1H
InChIKey
VXQZSJYENUHWOD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of A 62176
CAS: 148201-53-0
CID: 132823
Formula: C20H17ClFN3O4
MW: 417.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass417.0891619
Monoisotopic Mass417.0891619
Topological Polar Surface Area96.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity716
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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