Enpp-1-IN-1 - 10mM in DMSO , CAS No.2289728-58-9

CAS: 2289728-58-9 Cat. No.: E422728 Fórmula: C₁₇H₁₇N₃O₃S Peso molecular: 343.4

GRAU & PUREZA 10mM in DMSO

Synonyms

UUN28589 | MV 658Sulfamide,N-​[[4-​(7-​methoxy-​4-​quinolinyl)​phenyl]​methyl]​-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Information

Enpp-1-IN-1 Enpp-1-IN-1 (UUN28589, MV 658) is an inhibitor of Ectonucleotide pyrophosphatase-phosphodiesterase 1 (enpp-1) .

Targets

enpp-1

Especificações

Sinónimos

UUN28589 | MV 658Sulfamide,N-​[[4-​(7-​methoxy-​4-​quinolinyl)​phenyl]​methyl]​-

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

Enpp-1-IN-1 (UUN28589, MV 658) is an inhibitor of Ectonucleotide pyrophosphatase-phosphodiesterase 1 (enpp-1).

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Propriedades do produto

ALogP

1.615

hba_count

4

Contagem HBD

2

Ligação rotativa

5

Nomes e identificadores

Pubchem Sid

528764403

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528764403

Sorrisos canónicos

COC1=CC2=NC=CC(=C2C=C1)C3=CC=C(C=C3)CNS(=O)(=O)N

IUPAC Name

7-methoxy-4-[4-[(sulfamoylamino)methyl]phenyl]quinoline

InChIKey

UEJMNZDIQDULLP-UHFFFAOYSA-N

INCHI

1S/C17H17N3O3S/c1-23-14-6-7-16-15(8-9-19-17(16)10-14)13-4-2-12(3-5-13)11-20-24(18,21)22/h2-10,20H,11H2,1H3,(H2,18,21,22)

Peso molecular

343.4

Reaxy-Rn

34304138

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34304138&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Phenylpyridines Anisoles Methylpyridines Alkyl aryl ethers Sulfuric acid diamides Benzene and substituted derivatives Secondary ketimines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - 4-phenylpyridine - Anisole - Methylpyridine - Alkyl aryl ether - Benzenoid - Pyridine - Sulfuric acid diamide - Monocyclic benzene moiety - Heteroaromatic compound - Secondary ketimine - Organic sulfuric acid or derivatives - Ketimine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
• 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

Propriedades químicas e físicas

• DMSO (mg/mL) Solubilidade máxima: 69
• DMSO (mM) Solubilidade máxima: 200.931857891672
• Água (mg/mL) Solubilidade máxima: ＜1
• Peso molecular: 343.400 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 343.099 Da
• Monoisotopic Mass: 343.099 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 500.000
• 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