8MDP , CAS No.29491-75-6

CAS: 29491-75-6 Cat. No.: M1454693 Molecular Weight: 560.73 PubChem CID: 16756415

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

8MDP is a potent equilibrative nucleoside transporter 1 ( ENT1 ) inhibitor with an IC 50 of 0.43 nM. 8MDP inhibits hENT1 and hENT2 uptake of [H 3 ] uridine by K562 cells and K15NTD cells.

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.

Names and Identifiers

• Canonical Smiles: C1CCCN(CCC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCCCC4)N(CCO)CCO)N(CCO)CCO
• IUPAC Name: 2-[[4,8-bis(azocan-1-yl)-2-[bis(2-hydroxyethyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
• InChIKey: KXOCTHJHIGLQKJ-UHFFFAOYSA-N
• INCHI: 1S/C28H48N8O4/c37-19-15-35(16-20-38)27-30-24-23(25(31-27)33-11-7-3-1-4-8-12-33)29-28(36(17-21-39)18-22-40)32-26(24)34-13-9-5-2-6-10-14-34/h37-40H,1-22H2
• Isomeric SMILES: C1CCCN(CCC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCCCC4)N(CCO)CCO)N(CCO)CCO
• PubChem CID: 16756415
• Molecular Weight: 560.73

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Azacyclic compounds Alkanolamines Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dialkylarylamine - Aminopyrimidine - Imidolactam - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Alkanolamine - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
• 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