AZA1 - ≥98% , CAS No.1071098-42-4

CAS: 1071098-42-4 Cat. No.: A412906 Formula: C₂₂H₂₀N₆ Molecular Weight: 368.4

GRADE & PURITY ≥98%

Synonyms

N2,N4-Bis(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

AZA1 (Rac1/Cdc42-IN-1) is a potent dual inhibitor of Rac1 and Cdc42 that induces prostate cancer cells apoptosis and inhibits prostate cancer cells proliferation, migration and invasion.

Specifications

Synonyms

N2,N4-Bis(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

AZA1 (Rac1/Cdc42-IN-1) is a potent dual inhibitor of Rac1 and Cdc42 that induces prostate cancer cells apoptosis and inhibits prostate cancer cells proliferation, migration and invasion.

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

ACTIVATOR

Purity

≥98%

Names and Identifiers

Pubchem Sid

528763199

Canonical Smiles

CC1=CC2=C(N1)C=CC(=C2)NC3=NC(=NC=C3)NC4=CC5=C(C=C4)NC(=C5)C

IUPAC Name

2-N,4-N-bis(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine

InChIKey

SYWHWWKOIJCMKF-UHFFFAOYSA-N

INCHI

1S/C22H20N6/c1-13-9-15-11-17(3-5-19(15)24-13)26-21-7-8-23-22(28-21)27-18-4-6-20-16(12-18)10-14(2)25-20/h3-12,24-25H,1-2H3,(H2,23,26,27,28)

Isomeric SMILES

CC1=CC2=C(N1)C=CC(=C2)NC3=NC(=NC=C3)NC4=CC5=C(C=C4)NC(=C5)C

Molecular Weight

368.4

Reaxy-Rn

18293245

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18293245&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Aminopyrimidines and derivatives Substituted pyrroles Imidolactams Benzenoids Heteroaromatic compounds Secondary amines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Aminopyrimidine - Imidolactam - Benzenoid - Substituted pyrrole - Pyrimidine - Heteroaromatic compound - Pyrrole - Azacycle - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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

Chemical and Physical Properties

• Solubility: Soluble in DMSO
• Molecular Weight: 368.400 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 368.175 Da
• Monoisotopic Mass: 368.175 Da
• Topological Polar Surface Area: 81.400 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 529.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1