MM-433593 - Moligand™ , Inhibitor of Fatty acid amide hydrolase, CAS No.M611963, Inhibitor of Fatty acid amide hydrolase

CAS: M611963 Cat. No.: M611963 PubChem CID: 25143721

GRADE & PURITY Moligand™

Synonyms

GTPL9944 | UNII-ET9Q0750O6 | 1006604-91-6 | 2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(2-methoxypyridin-4-yl)-2-oxoacetamide | SCHEMBL2168486 | Q27277357 | 1H-Indole-3-acetamide, 1-[(4-chlorophenyl)methyl]-N-(2-methoxy-4-pyridinyl)-2,5-dimet

Storage

Room temperature

Specifications

Synonyme

GTPL9944 | UNII-ET9Q0750O6 | 1006604-91-6 | 2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(2-methoxypyridin-4-yl)-2-oxoacetamide | SCHEMBL2168486 | Q27277357 | 1H-Indole-3-acetamide, 1-[(4-chlorophenyl)methyl]-N-(2-methoxy-4-pyridinyl)-2,5-dimet

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Inhibitor of Fatty acid amide hydrolase

Namen und Kennungen

• Kanonisches Lächeln: COc1nccc(c1)NC(=O)C(=O)c1c2cc(C)ccc2n(c1C)Cc1ccc(cc1)Cl
• IUPAC Name: 2-[1-[(4-chlorophenyl)methyl]-2,5-dimethylindol-3-yl]-N-(2-methoxypyridin-4-yl)-2-oxoacetamide
• InChIKey: RIKZRSJVZWKHNX-UHFFFAOYSA-N
• INCHI: 1S/C25H22ClN3O3/c1-15-4-9-21-20(12-15)23(16(2)29(21)14-17-5-7-18(26)8-6-17)24(30)25(31)28-19-10-11-27-22(13-19)32-3/h4-13H,14H2,1-3H3,(H,27,28,31)
• Isomere SMILES: CC1=CC2=C(C=C1)N(C(=C2C(=O)C(=O)NC3=CC(=NC=C3)OC)C)CC4=CC=C(C=C4)Cl
• PubChem CID: 25143721

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Indoles and derivatives
      • Subclass N-alkylindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: N-alkylindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylindoles
• Alternative Parents: Indoles N-arylamides Aryl ketones Chlorobenzenes Alkyl aryl ethers Substituted pyrroles Pyridines and derivatives Aryl chlorides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-alkylindole - Indole - Aryl ketone - N-arylamide - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Pyridine - Heteroaromatic compound - Vinylogous amide - Pyrrole - Ketone - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Ether - Carboxylic acid derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
• 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

Zugehörige Ziele (menschlich)

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)

CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

Discover Target: CNR1

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

Zugehörige Ziele (nicht menschlich)

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 447.900 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 447.135 Da
• Monoisotopic Mass: 447.135 Da
• Topological Polar Surface Area: 73.200 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 669.000
• 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

Häufig gestellte Fragen

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.

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

The CAS Number is M611963. InChIKey RIKZRSJVZWKHNX-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.