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NSC 663284 1mg

CAT: 0628-A13524-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A13524-1Size:1 mg
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CAS Number
383907-43-5

Chemical Information

DA-3003-1

6-chloro-7-[2-(4-morpholinyl)ethylamino]quinoline-5,8-dione is a quinolone that is quinoline-5,8-dione substituted by chloro and [2-(morpholin-4-yl)ethyl]amino groups at positions 6 and 7, respectively. It is a potent and irreversible inhibitor of Cdc25 isoforms. It has a role as an EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor and an antineoplastic agent. It is a quinolone, a member of p-quinones, an organochlorine compound, an aminoquinoline and a member of morpholines.

CAS Number383907-43-5
PubChem CID379077
IUPAC Name6-chloro-7-(2-morpholin-4-ylethylamino)quinoline-5,8-dione
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76
XLogP1.4
Topological Polar Surface Area71.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity488
SMILES
C1COCCN1CCNC2=C(C(=O)C3=C(C2=O)N=CC=C3)Cl
InChI
InChI=1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)15(21)12-10(14(11)20)2-1-3-17-12/h1-3,18H,4-9H2
InChIKey
BMKPVDQDJQWBPD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DA-3003-1
CAS: 383907-43-5
CID: 379077
Formula: C15H16ClN3O3
MW: 321.76
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.76
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass321.0880191
Monoisotopic Mass321.0880191
Topological Polar Surface Area71.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity488
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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Alternative Products

CatalogName
MBS808217-01NSC 663284
MBS516356-01NSC-663284
HY-100034RNSC 663284 (Standard)
TBI1352-5MGNSC-663284, Cdc25 Phosphatase inhibitor

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