BIA 10-2474 - Moligand™, ≥98% , Inhibitor of Fatty acid amide hydrolase, CAS No.1233855-46-3, Inhibitor of Fatty acid amide hydrolase

CAS: 1233855-46-3 Cat. No.: B413370 Molecular Weight: 300.36

GRADE & PURITY Moligand™, ≥98%

Synonyms

5-Dimethylamino-l-naphthalenesulfonyl chloride | 1233855-46-3 | BIA-102474 | BIA-10-2474 | BIA10-2474 | HY-19740 | BIA 10-2474 | N-cyclohexyl-N-methyl-4-(1-oxidopyridin-1-ium-3-yl)imidazole-1-carboxamide | DTXSID901009325 | EX-A2490 | FT-0636693 | BIA-102

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

BIA 10-2474 BIA 10-2474 is a novel fatty acid amide hydrolase (FAAH) inhibitor, with a potent inhibitory effect upon FAAH and prolonged action in vivo.

Specifications

Synonyms

5-Dimethylamino-l-naphthalenesulfonyl chloride | 1233855-46-3 | BIA-102474 | BIA-10-2474 | BIA10-2474 | HY-19740 | BIA 10-2474 | N-cyclohexyl-N-methyl-4-(1-oxidopyridin-1-ium-3-yl)imidazole-1-carboxamide | DTXSID901009325 | EX-A2490 | FT-0636693 | BIA-102

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

BIA 10-2474 is a novel fatty acid amide hydrolase (FAAH) inhibitor, with a potent inhibitory effect upon FAAH and prolonged action in vivo.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of Fatty acid amide hydrolase

Purity

≥98%

Product Properties

• ALogP: 1.719
• hba_count: 2
• Rotatable Bond: 2

Names and Identifiers

• Pubchem Sid: 504770791
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770791
• Canonical Smiles: CN(C1CCCCC1)C(=O)N2C=C(N=C2)C3=C[N+](=CC=C3)[O-]
• IUPAC Name: N-cyclohexyl-N-methyl-4-(1-oxidopyridin-1-ium-3-yl)imidazole-1-carboxamide
• InChIKey: DOWVMJFBDGWVML-UHFFFAOYSA-N
• INCHI: 1S/C16H20N4O2/c1-18(14-7-3-2-4-8-14)16(21)19-11-15(17-12-19)13-6-5-9-20(22)10-13/h5-6,9-12,14H,2-4,7-8H2,1H3
• Isomeric SMILES: CN(C1CCCCC1)C(=O)N2C=C(N=C2)C3=C[N+](=CC=C3)[O-]
• Alternate CAS: 1233855-46-3
• MeSH Entry Terms: 3-(1-(cyclohexyl(methyl)carbamoyl)-1H-imidazol-4-yl)pyridine 1-oxide;BIA 10-2474
• Molecular Weight: 300.36
• Reaxy-Rn: 22256932
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22256932&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Imidazolyl carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Imidazolyl carboxylic acids and derivatives
• Alternative Parents: Carbonylimidazoles Pyridinium derivatives N-substituted imidazoles Heteroaromatic compounds Ureas Tertiary amines Azacyclic compounds Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Imidazolyl carboxylic acid derivative - Imidazole-1-carbonyl group - N-substituted imidazole - Pyridine - Pyridinium - Heteroaromatic compound - Tertiary amine - Urea - Azacycle - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazolyl carboxylic acids and derivatives. These are organic compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an imidazole ring.
• 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)

CES2 Tchem Cocaine esterase (1 Activities)

Discover Target: CES2

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

FAAH Tchem Fatty-acid amide hydrolase 1 (2 Activities)

Discover Target: FAAH

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

CES2 Tchem Carboxylesterase 2 (583 Activities)

Discover Target: CES2

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

MGLL Tchem Monoglyceride lipase (1909 Activities)

Discover Target: MGLL

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

Associated Targets(non-human)

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

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: Solubility (25°C) In vitro DMSO: 4 mg/mL (13.31 mM); Ethanol: 2 mg/mL (6.65 mM); Water: Insoluble
• DMSO(mg / mL) Max Solubility: 4
• DMSO(mM) Max Solubility: 13.3173525103209
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 300.360 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 300.159 Da
• Monoisotopic Mass: 300.159 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 386.000
• 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