LUF 6283 - Moligand™, ≥98%(HPLC) , Agonist of HCA 2 receptor, CAS No.92933-48-7, Agonist of HCA 2 receptor

CAS: 92933-48-7 Cat. No.: L287351 分子式: C₈H₁₂N₂O₂ 分子量: 168.19

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

5-Butyl-2H-pyrazole-3-carboxylic acid | BDBM50220842 | AKOS000301963 | LUF6283;LUF-6283 | BBL030719 | ZJTXSGLJNBAMJS-UHFFFAOYSA-N | 3-butyl-1H-pyrazole-5-carboxylicacid | VS-09994 | LUF 6283 | EN300-237993 | 1H-Pyrazole-3-carboxylic acid, 5-butyl- | SCHEM

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

5-Butyl-2H-pyrazole-3-carboxylic acid | BDBM50220842 | AKOS000301963 | LUF6283;LUF-6283 | BBL030719 | ZJTXSGLJNBAMJS-UHFFFAOYSA-N | 3-butyl-1H-pyrazole-5-carboxylicacid | VS-09994 | LUF 6283 | EN300-237993 | 1H-Pyrazole-3-carboxylic acid, 5-butyl- | SCHEM

仕様と純度

Moligand™, ≥98%(HPLC)

生化学的・生理学的メカニズム

Partial agonist of hydroxycarboxylic acid receptor 2 (HCA2) (Ki= 0.55μM). Thought to lower plasma very-low-density lipoprotein (VLDL)-triglyceride levels by affecting hepatic VLDL production in normolipidemic C57BL/6 mice.

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

AGONIST

作用メカニズム

Agonist of HCA 2 receptor

純度

≥98%(HPLC)

名前と識別子

• パブケム・シド: 528765310
• カノニカル・スマイル: CCCCC1=CC(=NN1)C(=O)O
• IUPAC Name: 5-butyl-1H-pyrazole-3-carboxylic acid
• InChIKey: ZJTXSGLJNBAMJS-UHFFFAOYSA-N
• INCHI: 1S/C8H12N2O2/c1-2-3-4-6-5-7(8(11)12)10-9-6/h5H,2-4H2,1H3,(H,9,10)(H,11,12)
• 異性体SMILES: CCCCC1=CC(=NN1)C(=O)O
• 代替CAS番号: 92933-48-7
• MeSH用語: LUF6283
• 分子量: 168.19
• Reaxy-Rn: 4649
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4649&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazole carboxylic acids and derivatives
• Alternative Parents: Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazole-3-carboxylic acid or derivatives - Pyrazole-5-carboxylic acid or derivatives - Heteroaromatic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid 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

関連ターゲット（人間）

HCAR2 Tclin Hydroxycarboxylic acid receptor 2 (2 Activities)

Discover Target: HCAR2

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

HCAR3 Tchem HM74 nicotinic acid GPCR (353 Activities)

Discover Target: HCAR3

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

関連ターゲット（非人間）

Hcar2 Hydroxycarboxylic acid receptor 2 (55 Activities)

Discover Target: Hcar2

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

Rattus norvegicus (775804 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 16.82, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 16.82, Max Conc. mM: 100
• 感度: Moisture sensitive
• 分子量: 168.190 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 168.09 Da
• Monoisotopic Mass: 168.09 Da
• Topological Polar Surface Area: 66.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 161.000
• 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