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

CAS: 2289728-58-9 Cat. No.: E422728 Formula: C₁₇H₁₇N₃O₃S Molecular Weight: 343.4

GRADE & PURITY 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

Overview

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

Synonyms

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

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

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

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Action Type

INHIBITOR

Product Properties

alogp

1.615

hba_count

4

hbd_count

2

rotatable_bond

5

Names and Identifiers

Pubchem Sid

528764403

Pubchem Sid Url

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

Canonical Smiles

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)

Molecular Weight

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
    • Class Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• dmso_mg_max_solubility: 69
• dmso_mM_max_solubility: 200.931857891672
• water_mg_max_solubility: ＜1
• Molecular Weight: 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