MJ 15 - ≥99%(HPLC) , CAS No.944154-76-1

CAS: 944154-76-1 Cat. No.: M288819 Formula: C₂₃H₁₇Cl₃N₄O Molecular Weight: 471.77

GRADE & PURITY ≥99%(HPLC)

Synonyms

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(3-pyridyl-methyl)-1h-pyrazole-3-carboxamide | NCGC00371029-01 | 5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(3-pyridylmethyl)- 1H-pyrazole-3-carboxamide | SCHEMBL12191305 | 1H-Pyrazole-3-carbo

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(3-pyridyl-methyl)-1h-pyrazole-3-carboxamide | NCGC00371029-01 | 5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(3-pyridylmethyl)- 1H-pyrazole-3-carboxamide | SCHEMBL12191305 | 1H-Pyrazole-3-carbo

Specifications & Purity

≥99%(HPLC)

Biochemical and Physiological Mechanisms

Potent and selective CB1receptor antagonist (Ki= 27.2 pM, IC50= 118.9 pM for rat CB1receptors). Exhibits potency in obesity and hyperlipidemia models; inhibits food intake and increases in body weight in diet-induced obese rats and mice.

Storage

Room temperature

Shipped In

Normal

Action Type

ANTAGONIST

Purity

≥99%(HPLC)

Names and Identifiers

Canonical Smiles

CC1=C(N(N=C1C(=O)NCC2=CN=CC=C2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl

IUPAC Name

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

InChIKey

PJEIKJFNEFJFLA-UHFFFAOYSA-N

INCHI

1S/C23H17Cl3N4O/c1-14-21(23(31)28-13-15-3-2-10-27-12-15)29-30(20-9-8-18(25)11-19(20)26)22(14)16-4-6-17(24)7-5-16/h2-12H,13H2,1H3,(H,28,31)

Isomeric SMILES

CC1=C(N(N=C1C(=O)NCC2=CN=CC=C2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl

Molecular Weight

471.77

Reaxy-Rn

18471005

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18471005&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Pyrazole-5-carboxamides Dichlorobenzenes 2-heteroaryl carboxamides Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
• 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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 47.18, Max Conc. mM: 100
• Molecular Weight: 471.800 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 470.047 Da
• Monoisotopic Mass: 470.047 Da
• Topological Polar Surface Area: 59.800 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 603.000
• 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

Frequently Asked Questions

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

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

The CAS Number is 944154-76-1, the molecular formula is C??H??Cl?N?O, and the molecular weight is 471.77 g/mol. InChIKey PJEIKJFNEFJFLA-UHFFFAOYSA-N.

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.