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 Molecular Weight: 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

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

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

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.

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of HCA 2 receptor

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: CCCCC1=CC(=NN1)C(=O)O
• Alternate CAS: 92933-48-7
• MeSH Entry Terms: LUF6283
• Molecular Weight: 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
    • Class Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 16.82, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 16.82, Max Conc. mM: 100
• Sensitivity: Moisture sensitive
• Molecular Weight: 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