Aclimostat , Methionine aminopeptidase 2 inhibitor, CAS No.2082752-83-6, Methionine aminopeptidase 2 inhibitor

CAS: 2082752-83-6 Cat. No.: A671327 Peso molecular: 478.6 PubChem CID: 126573394

Synonyms

Aclimostat | BDBM148432 | (3R,4S,5S,6R)5Methoxy4((2R,3R)2methyl3(3methylbut2en1yl)oxiran2yl)1oxaspiro(2.5)octan6yl 3(2(morpholin4yl)ethyl)azetidine1carboxylate | X150A3JK8R | UNII-X150A3JK8R | ZGN-1061 | HY-114196 | ACLIMOSTAT [WHO-DD] | (3R,4S,5S,6R)-5-M

Storage

Room temperature

Specifications

Sinónimos

Aclimostat | BDBM148432 | (3R, 4S, 5S, 6R)5Methoxy4((2R, 3R)2methyl3(3methylbut2en1yl)oxiran2yl)1oxaspiro(2.5)octan6yl 3(2(morpholin4yl)ethyl)azetidine1carboxylate | X150A3JK8R | UNII-X150A3JK8R | ZGN-1061 | HY-114196 | ACLIMOSTAT [WHO-DD] | (3R, 4S, 5S, 6R)-5-M

Condiciones de almacenamiento de almacenamiento

Room temperature

Tipo de acción

INHIBITOR

Mecanismo de acción

Methionine aminopeptidase 2 inhibitor

Propiedades del producto

• ALogP: 2.3

Nombres e identificadores

• Sonrisas canónicas: CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)N4CC(C4)CCN5CCOCC5)OC)C
• IUPAC Name: [(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 3-(2-morpholin-4-ylethyl)azetidine-1-carboxylate
• InChIKey: QJWJPMLDQYEPPW-AUKZVGPFSA-N
• INCHI: 1S/C26H42N2O6/c1-18(2)5-6-21-25(3,34-21)23-22(30-4)20(7-9-26(23)17-32-26)33-24(29)28-15-19(16-28)8-10-27-11-13-31-14-12-27/h5,19-23H,6-17H2,1-4H3/t20-,21-,22-,23-,25+,26+/m1/s1
• Isómeros SMILES: CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)N4CC(C4)CCN5CCOCC5)OC)C
• PubChem CID: 126573394
• Peso molecular: 478.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azetidines
      • Subclass Azetidinecarboxylic acids or derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azetidines
• Subclass: Azetidinecarboxylic acids or derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Azetidinecarboxylic acids
• Alternative Parents: Morpholines Carbamate esters Trialkylamines Organic carbonic acids and derivatives Oxacyclic compounds Epoxides Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Azetidinecarboxylic acid - Oxazinane - Morpholine - Carbamic acid ester - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Oxacycle - Azacycle - Ether - Oxirane - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as azetidinecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an azetidine ring.
• 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