OM-189 , CAS No.55381-18-5

CAS: 55381-18-5 Cat. No.: O1443640 PubChem CID: 21125474

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

OM-189 is a selective synthetic thrombin inhibitor.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: CC1CCN(CC1)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C
• IUPAC Name: 2-[(4S)-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-(4-methylpiperidin-1-yl)-5-oxopentyl]guanidine
• InChIKey: JVLBGBDQWIMMLO-FQEVSTJZSA-N
• INCHI: 1S/C24H36N6O3S/c1-17-12-15-30(16-13-17)23(31)20(9-6-14-27-24(25)26)28-34(32,33)22-11-5-7-18-19(22)8-4-10-21(18)29(2)3/h4-5,7-8,10-11,17,20,28H,6,9,12-16H2,1-3H3,(H4,25,26,27)/t20-/m0/s1
• Isomeric SMILES: CC1CCN(CC1)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C
• PubChem CID: 21125474

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-naphthalene sulfonic acids and derivatives
• Alternative Parents: 1-naphthalene sulfonamides Alpha amino acid amides N-acylpiperidines Dialkylarylamines Organosulfonamides Tertiary carboxylic acid amides Aminosulfonyl compounds Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - N-acyl-piperidine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Piperidine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Aminosulfonyl compound - Tertiary amine - Amino acid or derivatives - Carboxamide group - Guanidine - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Carboximidamide - Carboxylic acid derivative - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene 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