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NSC 663284

CAT: 0804-HY-100034-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-100034-01Size:2 mg
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Description
NSC 663284 (DA-3003-1) is a potent, cell-permeable, and irreversible Cdc25 dual specificity phosphatase inhibitor, has an IC50 for Cdc25B2 of 0.21 μM. NSC 663284 exhibits mixed competitive kinetics against Cdc25A, Cdc25B (2), and Cdc25C with Ki values of 29, 95, and 89 nM, respectively[1]. NSC 663284 inhibits NSD2 (IC50 of 170 nM) through a direct interaction with the catalytic SET domain (Kd of 370 nM) [2].
CAS Number
383907-43-5
Product Name Alternative
DA-3003-1
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Histone Methyltransferase; Phosphatase
Type
Reference compound
Related Pathways
Epigenetics; Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/NSC_663284.html
Purity
99.56
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O=C(C(Cl)=C1NCCN2CCOCC2)C3=C(N=CC=C3)C1=O
Molecular Formula
C15H16ClN3O3
Molecular Weight
321.76
Precautions
H315, H319, H335
References & Citations
[1]Lazo JS, et al. Discovery and biological evaluation of a new family of potent inhibitors of the dual specificity protein phosphatase Cdc25. J Med Chem. 2001 Nov 22;44 (24) :4042-9.|[2]Guo J, et al. Pharmacology and antitumor activity of a quinolinedione Cdc25 phosphatase inhibitor DA3003-1 (NSC 663284) . Anticancer Res. 2007 Sep-Oct;27 (5A) :3067-73.|[3]Coussens NP, et al. High-throughput screening with nucleosome substrate identifies small-molecule inhibitors of the human histone lysine methyltransferase NSD2. J Biol Chem. 2018 Aug 31;293 (35) :13750-13765.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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MBS808217-01NSC 663284
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