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

COA

Grade & Purity:

Moligand™

Cas Number: 387825-78-7
PubChem CID: 11520239

In stock

Item Number

S613644

Grouped product items
SKU	Size	Availability	Price	Qty
S613644-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$884.90
S613644-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,651.90

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MCH1 receptor Antagonist (22) Metabolite (5307)

Basic Description

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
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Antagonist of MCH 1 receptor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Phenylpiperidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	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
Description	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
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)

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)

Names and Identifiers

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
INCHI	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
InChIKey	FWMHZWMPUWAUPL-NDEPHWFRSA-N
Smiles	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
Isomeric 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

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	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 Å²
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

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