Enpp-1-IN-1 - ≥98% , CAS No.2289728-58-9

CAS: 2289728-58-9 Cat. No.: E412425 Formula: C₁₇H₁₇N₃O₃S Peso molecolare: 343.4

GRADE & PURITY ≥98%

Synonyms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

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

Specifications

Sinonimi

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

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Proprietà del prodotto

• ALogP: 1.615
• hba_count: 4
• Conteggio HBD: 2
• Legame rotabile: 5

Nomi e identificatori

• Pubchem Sid: 504773498
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773498
• Sorrisi canonici: 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 molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro DMSO: 69 mg/mL (200.93 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO (mg/mL) Solubilità massima: 69
• DMSO (mM) Solubilità massima: 200.931857891672
• Acqua (mg/mL) Solubilità massima: ＜1
• Peso molecolare: 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