1547298-49-6

Basic information

• Product Name: 3-[(4-amino-6-{7-chloro-3-oxatricyclo[7.3.1.0^5,13]trideca-1⁽¹³⁾,5,7,9,11-pentaen-8-yl}-1,3,5-triazin-2-yl)sulfanyl]-2,2-dimethylpropanoic acid
• CAS NO: 1547298-49-6
• Molecular Weight: 430.915
• Mol File: 1547298-49-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 3-[(4-amino-6-{7-chloro-3-oxatricyclo[7.3.1.0^5,13]trideca-1⁽¹³⁾,5,7,9,11-pentaen-8-yl}-1,3,5-triazin-2-yl)sulfanyl]-2,2-dimethylpropanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-[(4-amino-6-{7-chloro-3-oxatricyclo[7.3.1.0^5,13]trideca-1⁽¹³⁾,5,7,9,11-pentaen-8-yl}-1,3,5-triazin-2-yl)sulfanyl]-2,2-dimethylpropanoic acid(1547298-49-6)
• EPA Substance Registry System: 3-[(4-amino-6-{7-chloro-3-oxatricyclo[7.3.1.0^5,13]trideca-1⁽¹³⁾,5,7,9,11-pentaen-8-yl}-1,3,5-triazin-2-yl)sulfanyl]-2,2-dimethylpropanoic acid(1547298-49-6)

Safety Data

• Hazardous Substances Data: 1547298-49-6(Hazardous Substances Data)

Upstream product

• 2843-17-6 3-bromo-2,2-dimethylpropionic acid 
• 959762-95-9 4-amino-6-{7-chloro-3-oxatricyclo[7.3.1.0^5,13]trideca-1⁽¹³⁾,5,7,9,11-pentaen-8-yl}-1,3,5-triazine-2-thiol 

Relevant articles and documents

Design and synthesis of 2-amino-6-(1H,3H-benzo[de]isochromen-6-yl)-1,3,5- triazines as novel Hsp90 inhibitors

A novel series of 2-amino-1,3,5-triazines bearing a tricyclic moiety as heat shock protein 90 (Hsp90) inhibitors is described. Molecular design was performed using X-ray cocrystal structures of the lead compound CH5015765 and natural Hsp90 inhibitor geldanamycin with Hsp90. We optimized affinity to Hsp90, in vitro cell growth inhibitory activity, water solubility, and liver microsomal stability of inhibitors and identified CH5138303. This compound showed high binding affinity for N-terminal Hsp90α (Kd = 0.52 nM) and strong in vitro cell growth inhibition against human cancer cell lines (HCT116 IC50 = 0.098 μM, NCI-N87 IC50 = 0.066 μM) and also displayed high oral bioavailability in mice (F = 44.0%) and potent antitumor efficacy in a human NCI-N87 gastric cancer xenograft model (tumor growth inhibition = 136%).