MA-2029 - Moligand™ , Antagonist of motilin receptor, CAS No.M611717, Antagonist of motilin receptor

CAS: M611717 Cat. No.: M611717 PubChem CID: 73755070

GRADE & PURITY Moligand™

Synonyms

MA2029

Storage

Room temperature

Specifications

Synonyms

MA2029

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of motilin receptor

Names and Identifiers

• Canonical Smiles: CCNC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H](Cc1ccc(cc1)F)NC)C)C(C)C)Cc1ccc(c(c1)C(C)(C)C)O.Cl
• IUPAC Name: (2S)-N-[(2S)-3-(3-tert-butyl-4-hydroxyphenyl)-1-(ethylamino)-1-oxopropan-2-yl]-2-[[(2S)-3-(4-fluorophenyl)-2-(methylamino)propanoyl]-methylamino]-3-methylbutanamide;hydrochloride
• InChIKey: AMSDRHOIAWZBTJ-PBQYMGKRSA-N
• INCHI: 1S/C31H45FN4O4.ClH/c1-9-34-28(38)24(18-21-12-15-26(37)23(16-21)31(4,5)6)35-29(39)27(19(2)3)36(8)30(40)25(33-7)17-20-10-13-22(32)14-11-20;/h10-16,19,24-25,27,33,37H,9,17-18H2,1-8H3,(H,34,38)(H,35,39);1H/t24-,25-,27-;/m0./s1
• Isomeric SMILES: CCNC(=O)[C@H](CC1=CC(=C(C=C1)O)C(C)(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC2=CC=C(C=C2)F)NC.Cl
• PubChem CID: 73755070

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Not available
• Direct Parent: Peptides
• Alternative Parents: Tyrosine and derivatives Phenylalanine and derivatives Valine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Amphetamines and derivatives Phenylpropanes 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Fluorobenzenes Aryl fluorides N-acyl amines Tertiary carboxylic acid amides Secondary carboxylic acid amides Dialkylamines Carbonyl compounds Organic oxides Organofluorides Hydrocarbon derivatives Hydrochlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha peptide - Tyrosine or derivatives - Phenylalanine or derivatives - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Phenylpropane - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Aralkylamine - Phenol - Fatty amide - Fatty acyl - N-acyl-amine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
• 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)

MLNR Tchem Motilin receptor (1 Activities)

Discover Target: MLNR

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