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

CAS: 2289728-58-9 Cat. No.: E422728 Formula: C₁₇H₁₇N₃O₃S Peso molecolare: 343.4

QUALITÀ & PUREZZA 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

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

Specifiche

Sinonimi

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

Specifiche e purezza

10mM in DMSO

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 -80°C

Spedito in

Dry ice packs + Cold packs

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

Tipo di azione

INHIBITOR

Proprietà del prodotto

ALogP

1.615

hba_count

4

Conteggio HBD

2

Legame rotabile

5

Nomi e identificatori

Pubchem Sid

528764403

Pubchem Sid Url

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

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

• 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