Abbott 14c - Moligand™ , Antagonist of ghrelin receptor, CAS No.A607320, Antagonist of ghrelin receptor

CAS: A607320 Cat. No.: A607320 PubChem CID: 11441554

GRADE & PURITY Moligand™

Synonyms

2,4-diaminopyrimidine-based antagonist, 14c

Storage

Room temperature

Specifications

Synonyms

2, 4-diaminopyrimidine-based antagonist, 14c

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of ghrelin receptor

Names and Identifiers

• Canonical Smiles: O=C(NC(C)(C)C)Nc1ccc(cc1)c1c(N)nc(nc1COCc1ccccc1)N
• IUPAC Name: 1-tert-butyl-3-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]urea
• InChIKey: MLBYOWASRACYDH-UHFFFAOYSA-N
• INCHI: 1S/C23H28N6O2/c1-23(2,3)29-22(30)26-17-11-9-16(10-12-17)19-18(27-21(25)28-20(19)24)14-31-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H2,26,29,30)(H4,24,25,27,28)
• Isomeric SMILES: CC(C)(C)NC(=O)NC1=CC=C(C=C1)C2=C(N=C(N=C2N)N)COCC3=CC=CC=C3
• PubChem CID: 11441554

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrimidines
• Alternative Parents: N-phenylureas Benzylethers Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Ureas Dialkyl ethers Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 5-phenylpyrimidine - N-phenylurea - Benzylether - Aminopyrimidine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Urea - Dialkyl ether - Ether - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Primary amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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)

GHSR Tclin Growth hormone secretagogue receptor type 1 (2 Activities)

Discover Target: GHSR

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

DHFR Tclin Dihydrofolate reductase (3072 Activities)

Discover Target: DHFR

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

GHSR Tclin Ghrelin receptor (6229 Activities)

Discover Target: GHSR

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

Mechanisms of Action