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

CAS: 1453097-13-6 Cat. No.: H412164 Formule: C₁₉H₁₈N₄O Poids moléculaire: 318.37

QUALITÉ & PURETÉ 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

Vue d’ensemble

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

Spécifications

Synonymes

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

Spécifications et pureté

Moligand™,≥98%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

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.

Grade

Moligand™

Pureté

≥98%

Noms et identifiants

Sourires canoniques

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)

Isomères SMILES

CC1=CC2=C(C=C1)N=C(N2)N3C(=O)C(=C(N3)C)CC4=CC=CC=C4

Poids moléculaire

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
• Description: 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

Cibles associées (humaines)

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)

Propriétés chimiques et physiques

• Solubilité: DMSO : ≥ 34 mg/mL (106.79 mM)
• Poids moléculaire: 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

Foire aux questions

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1453097-13-6, the molecular formula is C19H18N4O, and the molecular weight is 318.37 g/mol. InChIKey IQOKQFQFGHZHJT-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.