BRD73954

Base Information

• Chemical Name: BRD73954
• CAS No.: 1440209-96-0
• Molecular Formula: C16H16N2O3
• Molecular Weight: 284.31
• Mol file: 1440209-96-0.mol

Synonyms:BRD73954;N1-hydroxy-N3-phenethylisophthalamide;N1-hydroxy-N3-(2-phenylethyl)-1,3-benzenedicarboxamide BRD73954;N1-Hydroxy-N3-(2-phenylethyl)-1,3-benzenedicarboxamide

Chemical Property of BRD73954

Chemical Property:

• PKA: 8.56±0.10(Predicted)
• PSA: 78.43000
• Density: 1.245±0.06 g/cm3(Predicted)
• LogP: 2.55990
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)

Purity/Quality:

98%,99%, ^*data from raw suppliers

BRD73954 ≥98%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Description: BRD73954 is a dual inhibitor of histone deacetylase 6 (HDAC6) and HDAC8 (IC50s = 36 and 120 nM, respectively). It is selective for HDAC6 and -8 over HDAC1-5, -7, and -9 (IC50s = 12, 9, 23, >33, >33, 13, and >33 μM, respectively). BRD73954 (10 μM) increases acetylation of α-tubulin, a known HDAC6 substrate, but not histone H3, a substrate for HDAC1, -2, and -3, in HeLa cells.
• Uses: BRD73954 is a small molecule inhibitor which has the ability to inhibit HDAC6 and HDAC8. Affects cell adhesion and mobility in cells.

Technology Process of BRD73954

There total 2 articles about BRD73954 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

C17H17NO3 (925159-24-6) → BRD-73954 (1440209-96-0)

Guidance literature:

With hydroxylamine; sodium hydroxide; In methanol; dichloromethane; water;

DOI:10.1021/jm400390r

Reference yield:

benzene 1,3-dicarboxylic acid monomethyl ester (1877-71-0) + phenethylamine (64-04-0) → BRD-73954 (1440209-96-0)

Guidance literature:

Multi-step reaction with 2 steps

1: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide

2: hydroxylamine; sodium hydroxide / water; methanol; dichloromethane

With hydroxylamine; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; sodium hydroxide; In methanol; dichloromethane; water; N,N-dimethyl-formamide;

DOI:10.1021/jm400390r

upstream raw materials:

benzene 1,3-dicarboxylic acid monomethyl ester

phenethylamine

C₁₇H₁₇NO₃

Refernces