SNAP-7941 - Moligand™ , Antagonist of MCH 1 receptor, CAS No.387825-78-7, Antagonist of MCH 1 receptor

CAS: 387825-78-7 Cat. No.: S613644 PubChem CID: 11520239

GRADE & PURITY Moligand™

Synonyms

(S)-methyl 1-((3-(4-(3-acetamidophenyl)piperidin-1-yl)propyl)carbamoyl)-6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-1,2,3,6-tetrahydropyrimidine-5-carboxylate | AKOS040749538 | DTXSID101028551 | (S)-3-{3-[4-(3-Acetylamino-phenyl)-piperidin-1-yl]-propyl

Storage

Room temperature

Specifications

Sinonimi

(S)-methyl 1-((3-(4-(3-acetamidophenyl)piperidin-1-yl)propyl)carbamoyl)-6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-1,2,3,6-tetrahydropyrimidine-5-carboxylate | AKOS040749538 | DTXSID101028551 | (S)-3-{3-[4-(3-Acetylamino-phenyl)-piperidin-1-yl]-propyl

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

ANTAGONIST

Meccanismo d'azione

Antagonist of MCH 1 receptor

Nomi e identificatori

• Sorrisi canonici: COCC1=C(C(=O)OC)[C@@H](N(C(=O)N1)C(=O)NCCCN1CCC(CC1)c1cccc(c1)NC(=O)C)c1ccc(c(c1)F)F
• IUPAC Name: methyl (6S)-1-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propylcarbamoyl]-6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-3,6-dihydropyrimidine-5-carboxylate
• InChIKey: FWMHZWMPUWAUPL-NDEPHWFRSA-N
• INCHI: 1S/C31H37F2N5O6/c1-19(39)35-23-7-4-6-21(16-23)20-10-14-37(15-11-20)13-5-12-34-30(41)38-28(22-8-9-24(32)25(33)17-22)27(29(40)44-3)26(18-43-2)36-31(38)42/h4,6-9,16-17,20,28H,5,10-15,18H2,1-3H3,(H,34,41)(H,35,39)(H,36,42)/t28-/m0/s1
• Isomeri SMILES: CC(=O)NC1=CC=CC(=C1)C2CCN(CC2)CCCNC(=O)N3[C@H](C(=C(NC3=O)COC)C(=O)OC)C4=CC(=C(C=C4)F)F
• PubChem CID: 11520239

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Acetanilides N-acetylarylamines Hydropyrimidine carboxylic acids and derivatives Pyrimidones Aralkylamines Fluorobenzenes Aryl fluorides Vinylogous amides Acetamides Methyl esters Enoate esters Ureas Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Acetanilide - Hydropyrimidine carboxylic acid derivative - N-acetylarylamine - Anilide - N-arylamide - Aralkylamine - Halobenzene - Fluorobenzene - Pyrimidone - Aryl halide - Benzenoid - Hydropyrimidine - Monocyclic benzene moiety - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Aryl fluoride - Acetamide - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Urea - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxygen compound - Organofluoride - Organohalogen compound - Organic oxide - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl 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

Obiettivi associati (umani)

ADRA1A Tclin Alpha-1A adrenergic receptor (1 Activities)

Discover Target: ADRA1A

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

MCHR1 Tchem Melanin-concentrating hormone receptor 1 (5 Activities)

Discover Target: MCHR1

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

Proprietà chimiche e fisiche

• Peso molecolare: 613.700 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 11
• Exact Mass: 613.271 Da
• Monoisotopic Mass: 613.271 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 1070.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Domande frequenti

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 387825-78-7. InChIKey FWMHZWMPUWAUPL-NDEPHWFRSA-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.