JMJD7-IN-1 - ≥98% , CAS No.311316-96-8

CAS: 311316-96-8 Cat. No.: J413694 Formule: C₁₆H₈Cl₂N₂O₄ Poids moléculaire: 363.1

GRADE & PURITY ≥98%

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

JMJD7-IN-1 is an inhibitor of Jumonji C domain-containing 7 (JMJD7).

Specifications

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

JMJD7-IN-1 is an inhibitor of Jumonji C domain-containing 7 (JMJD7).

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528764987

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528764987

Sourires canoniques

C1=CC2=C(C=CC(=C2N=C1)OC(=O)C3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

IUPAC Name

(5-nitroquinolin-8-yl) 2,4-dichlorobenzoate

InChIKey

YKPUGYXWOBGQLL-UHFFFAOYSA-N

INCHI

1S/C16H8Cl2N2O4/c17-9-3-4-10(12(18)8-9)16(21)24-14-6-5-13(20(22)23)11-2-1-7-19-15(11)14/h1-8H

Isomères SMILES

C1=CC2=C(C=CC(=C2N=C1)OC(=O)C3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

Poids moléculaire

363.1

Reaxy-Rn

37667727

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37667727&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Nitroquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitroquinolines and derivatives
• Alternative Parents: 2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Benzoic acid esters Benzoyl derivatives Dichlorobenzenes Nitroaromatic compounds Pyridines and derivatives Aryl chlorides Vinylogous halides Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organochlorides Organonitrogen compounds Organooxygen compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Nitroquinoline - Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous halide - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as nitroquinolines and derivatives. These are compounds containing a nitro group attached to a quinoline moiety.
• 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: light sensitive
• Poids moléculaire: 363.100 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 361.986 Da
• Monoisotopic Mass: 361.986 Da
• Topological Polar Surface Area: 85.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 487.000
• 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