SMS2-IN-1 - ≥98% , CAS No.2098890-15-2

CAS: 2098890-15-2 Cat. No.: S1441276 PubChem CID: 137628633

GRADE & PURITY ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

SMS2-IN-1 is a potent and highly selective sphingomyelin synthase 2 (SMS2) inhibitor with an IC 50 of 6.5 nM and a K d of 37 nM. SMS2-IN-1 shows 150-fold selectivity for SMS2 over SMS1 (IC 50 of 1000 nM).

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1(CC1)OC(=O)N2CCC(CC2)CCCOC3=C(C(=O)N(C4=CC=CC=C43)C)C(=O)N(C)CC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F
• IUPAC Name: (1-methylcyclopropyl) 4-[3-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl-methylcarbamoyl]-1-methyl-2-oxoquinolin-4-yl]oxypropyl]piperidine-1-carboxylate
• InChIKey: JDQOICVJUDEXEQ-UHFFFAOYSA-N
• INCHI: 1S/C34H37F6N3O5/c1-32(12-13-32)48-31(46)43-14-10-21(11-15-43)7-6-16-47-28-25-8-4-5-9-26(25)42(3)30(45)27(28)29(44)41(2)20-22-17-23(33(35,36)37)19-24(18-22)34(38,39)40/h4-5,8-9,17-19,21H,6-7,10-16,20H2,1-3H3
• Isómeros SMILES: CC1(CC1)OC(=O)N2CCC(CC2)CCCOC3=C(C(=O)N(C4=CC=CC=C43)C)C(=O)N(C)CC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F
• PubChem CID: 137628633

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Quinoline carboxamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Quinoline carboxamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinoline-3-carboxamides
• Alternative Parents: Hydroquinolones Trifluoromethylbenzenes Hydroquinolines Pyridinecarboxylic acids and derivatives Piperidinecarboxylic acids Pyridinones Alkyl aryl ethers Vinylogous esters Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline-3-carboxamide - Dihydroquinolone - Trifluoromethylbenzene - Dihydroquinoline - Pyridine carboxylic acid or derivatives - Piperidinecarboxylic acid - Pyridinone - Alkyl aryl ether - Benzenoid - Pyridine - Piperidine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous ester - Vinylogous amide - Carbamic acid ester - Tertiary carboxylic acid amide - Carbonic acid derivative - Lactam - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinoline-3-carboxamides. These are quinolines in which the quinoline ring system is substituted by one carboxamide group at the 3-position.
• 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