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

CAS: 944154-76-1 Cat. No.: M288819 분자식: C₂₃H₁₇Cl₃N₄O 분자량: 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

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Specifications

동의어

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

사양 및 순도

≥99%(HPLC)

생화학 및 생리적 메커니즘

강력하고 선택적인 CB1수용체 길항제(쥐 CB1수용체에 대해 Ki= 27.2 pM, IC50= 118.9 pM). 비만 및 고지혈증 모델에서 효능을 나타내며, 식이 유도 비만 쥐와 마우스에서 음식 섭취를 억제하고 체중을 증가시킵니다.

보관 조건

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작업 유형

ANTAGONIST

순수함

≥99%(HPLC)

이름과 식별자

• 정식 스마일: 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)
• 이성체 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
• 분자량: 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
    • 분류 Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 47.18, Max Conc. mM: 100
• 분자량: 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

자주 묻는 질문

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.