HUHS015 - Moligand™,≥98% , CAS No.1453097-13-6

CAS: 1453097-13-6 Cat. No.: H412164 Fórmula: C₁₉H₁₈N₄O Peso molecular: 318.37

GRADE & PURITY Moligand™, ≥98%

Synonyms

3-Methyl-1-(6-methyl-1H-benzimidazol-2-yl)-4-(phenylmethyl)-1H-pyrazol-5-ol | 3-Methyl-1-(6-methyl-1H-benzimidazol-2-yl)-4-(phenylmethyl)-1H-pyrazol-5-ol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

HUHS015 is a potent prostate cancer antigen-1 (PCA-1/ALKBH3) inhibitor with an IC50 of 0.67μM for PCA-1；

Specifications

Sinónimos

3-Methyl-1-(6-methyl-1H-benzimidazol-2-yl)-4-(phenylmethyl)-1H-pyrazol-5-ol | 3-Methyl-1-(6-methyl-1H-benzimidazol-2-yl)-4-(phenylmethyl)-1H-pyrazol-5-ol

Especificações e pureza

Moligand™,≥98%

Mecanismos bioquímicos e fisiológicos

HUHS015 is a potent, orally active inhibitor of prostate cancer antigen-1 (PCA-1/ALKBH3) with IC50 of 0.67μM.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: CC1=CC2=C(C=C1)N=C(N2)N3C(=O)C(=C(N3)C)CC4=CC=CC=C4
• IUPAC Name: 4-benzyl-5-methyl-2-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-one
• InChIKey: IQOKQFQFGHZHJT-UHFFFAOYSA-N
• INCHI: 1S/C19H18N4O/c1-12-8-9-16-17(10-12)21-19(20-16)23-18(24)15(13(2)22-23)11-14-6-4-3-5-7-14/h3-10,22H,11H2,1-2H3,(H,20,21)
• SMILES isoméricas: CC1=CC2=C(C=C1)N=C(N2)N3C(=O)C(=C(N3)C)CC4=CC=CC=C4
• Peso molecular: 318.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Pyrazolones Benzene and substituted derivatives Vinylogous amides Pyrazoles Imidazoles Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Monocyclic benzene moiety - Pyrazolinone - Benzenoid - Azole - Imidazole - Pyrazole - Vinylogous amide - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• 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

Alvos associados (humanos)

ALKBH3 Tchem Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3 (1 Activities)

Discover Target: ALKBH3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propriedades químicas e físicas

• Solubilidade: DMSO : ≥ 34 mg/mL (106.79 mM)
• Peso molecular: 318.400 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 318.148 Da
• Monoisotopic Mass: 318.148 Da
• Topological Polar Surface Area: 61.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 525.000
• 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