NSC 663284 (DA3003-1) - ≥98% , CAS No.383907-43-5

CAS: 383907-43-5 Cat. No.: N275722 Molecular Weight: 321.76 EC Number: 636-814-3

GRADE & PURITY ≥98%

Synonyms

NCGC00092289-02 | 6-Chloro-7-[[2-(4-morpholinyl)ethyl]amino]-5,8-quinolinedione | NCI60_021732 | 5,6-chloro-7-[[2-(4-morpholinyl)ethyl]amino]- | NSC663284 | NSC-663284 | A13524 | CHEBI:92053 | DTXSID50327512 | MS-24764 | CY8W2F69MW | HMS3412L16 | DA-3003-

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

product 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. NSC 663284 inhibits NSD2 (IC50 of 170 nM) through a direct interaction with the catalytic SET domain (Kd of 370 nM)

application：

NSC 663284 has been used as a cell division cycle 25 (CDC25) inhibitor to study its effects on the level of kizuna (kiz) dephosphorylation. It has also been used as a control in horseradish peroxidase/phenol red based assay and resazurin-based redox assay.

Specifications

Synonyms

NCGC00092289-02 | 6-Chloro-7-[[2-(4-morpholinyl)ethyl]amino]-5, 8-quinolinedione | NCI60_021732 | 5, 6-chloro-7-[[2-(4-morpholinyl)ethyl]amino]- | NSC663284 | NSC-663284 | A13524 | CHEBI:92053 | DTXSID50327512 | MS-24764 | CY8W2F69MW | HMS3412L16 | DA-3003-

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Potent, cell-permeable, irreversible non-selective Cdc25 inhibitor. Induces cell cycle arrest at both G1 and G2/M phase. Shows antiproliferative effects against tumor cell lines (IC 50 = 0.2-35 μM). Shows antitumor effects in vivo.

Storage

Protected from light, Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504758609
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758609
• Canonical Smiles: C1COCCN1CCNC2=C(C(=O)C3=C(C2=O)N=CC=C3)Cl
• IUPAC Name: 6-chloro-7-(2-morpholin-4-ylethylamino)quinoline-5,8-dione
• InChIKey: BMKPVDQDJQWBPD-UHFFFAOYSA-N
• 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
• Isomeric SMILES: C1COCCN1CCNC2=C(C(=O)C3=C(C2=O)N=CC=C3)Cl
• Molecular Weight: 321.76
• Reaxy-Rn: 9003440
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9003440&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Quinoline quinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Quinoline quinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline quinones
• Alternative Parents: Hydroquinolines Aryl ketones Morpholines Pyridines and derivatives Vinylogous halides Alpha-chloroketones Vinylogous amides Heteroaromatic compounds Trialkylamines Oxacyclic compounds Enamines Dialkylamines Dialkyl ethers Chloroalkenes Azacyclic compounds Vinyl chlorides Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline quinone - Dihydroquinoline - Aryl ketone - Morpholine - Oxazinane - Pyridine - Alpha-haloketone - Alpha-chloroketone - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Ketone - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Secondary aliphatic amine - Enamine - Ether - Oxacycle - Secondary amine - Azacycle - Chloroalkene - Vinyl chloride - Vinyl halide - Haloalkene - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinoline quinones. These are quinoline derivative with a structure containing a 5,8-dihydroisoquinoline-5,8-dione skeleton.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

KMT5A Tchem N-lysine methyltransferase KMT5A (2 Activities)

Discover Target: KMT5A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CDC25A Tchem M-phase inducer phosphatase 1 (2 Activities)

Discover Target: CDC25A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CDC25B Tchem M-phase inducer phosphatase 2 (3 Activities)

Discover Target: CDC25B

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CDC25C Tchem M-phase inducer phosphatase 3 (3 Activities)

Discover Target: CDC25C

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Solubility: Soluble in ethanol to 50 mM and in DMSO to 50 mM
• Sensitivity: Light sensitive
• Molecular Weight: 321.760 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 321.088 Da
• Monoisotopic Mass: 321.088 Da
• Topological Polar Surface Area: 71.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 488.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1