3-Deazaneplanocin A hydrochloride - Moligand™,≥99% , CAS No.120964-45-6

CAS: 120964-45-6 Cat. No.: D769920 Peso molecular: 298.73 Número EC: 802-282-8 PubChem CID: 14563109

GRADE & PURITY Moligand™, ≥99%

Synonyms

DZNep hydrochloride | NSC 617989 hydrochloride | 3-Deazaneplanocin hydrochloride | (1S,2R,5R)-5-(4-Amino-1H-imidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol hydrochloride | 3-Deazaneplanocin A HCl

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

3-deazaneplanocin A (DZNeP) HCl, an adenosine analog, is a competitive S-adenosylhomocysteine hydrolase inhibitor with a Ki of 50 pM in a cell-free assay.

Specifications

Sinónimos

DZNep hydrochloride | NSC 617989 hydrochloride | 3-Deazaneplanocin hydrochloride | (1S, 2R, 5R)-5-(4-Amino-1H-imidazo[4, 5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1, 2-diol hydrochloride | 3-Deazaneplanocin A HCl

Especificaciones y pureza

Moligand™, ≥99%

Mecanismos bioquímicos y fisiológicos

Biological Activity：3-Deazaneplanocin A hydrochloride (DZNep hydrochloride) is a potent histone methyltransferase EZH2 inhibitor. 3-Deazaneplanocin A hydrochloride is a potent S-adenosylhomocysteine hydrolase (AHCY) inhibitor. 3-Deazaneplanocin A hydrochl

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: C1=CN=C(C2=C1N(C=N2)C3C=C(C(C3O)O)CO)N.Cl
• IUPAC Name: (1S,2R,5R)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol;hydrochloride
• InChIKey: UNSKMHKAFPRFTI-FDKLLANESA-N
• INCHI: 1S/C12H14N4O3.ClH/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19;/h1-3,5,8,10-11,17-19H,4H2,(H2,13,14);1H/t8-,10-,11+;/m1./s1
• Isómeros SMILES: C1=CN=C(C2=C1N(C=N2)[C@@H]3C=C([C@H]([C@H]3O)O)CO)N.Cl
• WGK Alemania: 3
• PubChem CID: 14563109
• Peso molecular: 298.73

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Imidazopyridines
      • Subclass Imidazo-[4,5-c]pyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Imidazopyridines
• Subclass: Imidazo-[4,5-c]pyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazo-[4,5-c]pyridines
• Alternative Parents: Aminopyridines and derivatives N-substituted imidazoles Imidolactams Heteroaromatic compounds Secondary alcohols Azacyclic compounds Primary amines Primary alcohols Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazo-[4,5-c]pyridine - Aminopyridine - N-substituted imidazole - Pyridine - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Secondary alcohol - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Alcohol - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as imidazo-[4,5-c]pyridines. These are organic heterocyclic compounds containing an imidazo-[4,5-c]pyridine ring system. Imidazo-[4,5-c]pyridine consists of an imidazole ring fused to a pyridine, so that the three ring nitrogen atoms are at the 1-, 2-, and 5-position, respectively.
• 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

Propiedades químicas y físicas

• Solubilidad: Solubility：H2O: 50 mg/mL (167.38 mM), Sonication is recommended. DMSO: 150 mg/mL (502.13 mM), Sonication is recommended.
• Sensibilidad: Light sensitive；Moisture sensitive；
• Peso molecular: 298.720 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 298.083 Da
• Monoisotopic Mass: 298.083 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 378.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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: 2

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