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

CAS: 120964-45-6 Cat. No.: D769920 Molecular Weight: 298.73 EC Number: 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

Overview

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

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

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

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

Storage

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

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1=CN=C(C2=C1N(C=N2)[C@@H]3C=C([C@H]([C@H]3O)O)CO)N.Cl
• WGK Germany: 3
• PubChem CID: 14563109
• Molecular Weight: 298.73

Taxonomic Classification

Taxonomy Tree

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

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

Chemical and Physical Properties

• Solubility: Solubility：H2O: 50 mg/mL (167.38 mM), Sonication is recommended. DMSO: 150 mg/mL (502.13 mM), Sonication is recommended.
• Sensitivity: Light sensitive；Moisture sensitive；
• Molecular Weight: 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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