5-Methylnicotinic acid - Moligand™, ≥97% , Agonist of HCA 2 receptor, CAS No.3222-49-9, Agonist of HCA 2 receptor

CAS: 3222-49-9 Cat. No.: M111432 Formule: C₇H₇NO Poids moléculaire: 137.14 Numéro CE: 608-720-2

GRADE & PURITY Moligand™, ≥97%

Synonyms

FT-0601124 | 5-methyl nicotinic aicd | GTPL1592 | SY007507 | PS-4181 | 5-Bromospiro[cyclohexane-1,3-indol]-2(1H)-one | AC-616 | AKOS005256160 | 4-chloropyridine-3-sulfonamide hydrochloride;4-Chloro-3-pyridinesulfonamide | NCIOpen2_001043 | 5-METHYLNICOTIC

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

FT-0601124 | 5-methyl nicotinic aicd | GTPL1592 | SY007507 | PS-4181 | 5-Bromospiro[cyclohexane-1,3-indol]-2(1H)-one | AC-616 | AKOS005256160 | 4-chloropyridine-3-sulfonamide hydrochloride;4-Chloro-3-pyridinesulfonamide | NCIOpen2_001043 | 5-METHYLNICOTIC

Spécifications et pureté

Moligand™, ≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Moligand™

Type d'action

AGONIST

Mécanisme d'action

Agonist of HCA 2 receptor

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488189076

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189076

Sourires canoniques

CC1=CC(=CN=C1)C(=O)O

IUPAC Name

5-methylpyridine-3-carboxylic acid

InChIKey

DJDHHXDFKSLEQY-UHFFFAOYSA-N

INCHI

1S/C7H7NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-4H,1H3,(H,9,10)

Isomères SMILES

CC1=CC(=CN=C1)C(=O)O

WGK Allemagne

3

Poids moléculaire

137.14

Reaxy-Rn

112288

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112288&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Methylpyridines Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Methylpyridine - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing 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

Cibles associées (humaines)

HCAR2 Tclin Hydroxycarboxylic acid receptor 2 (1 Activities)

Discover Target: HCAR2

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

DAO Tchem D-amino-acid oxidase (802 Activities)

Discover Target: DAO

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

Cibles associées (non humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 137.140 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 137.048 Da
• Monoisotopic Mass: 137.048 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 136.000
• 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 is the purity of this product?

This product is supplied at ≥97% 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 room temperature.

How is this product shipped?

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

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

The CAS Number is 3222-49-9, the molecular formula is C7H7NO, and the molecular weight is 137.14 g/mol. InChIKey DJDHHXDFKSLEQY-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.