Resminostat

Base Information

• Chemical Name: Resminostat
• CAS No.: 864814-88-0
• Molecular Formula: C16H19N3O4S
• Molecular Weight: 349.40500
• UNII: 1578EUB98L
• ChEMBL ID: CHEMBL4296717
• DSSTox Substance ID: DTXSID50235587
• Metabolomics Workbench ID: 153386
• NCI Thesaurus Code: C84856
• Nikkaji Number: J3.286.121K
• Pharos Ligand ID: J9BRQR12ARAP
• Wikidata: Q18394103
• Wikipedia: Resminostat
• Mol file: 864814-88-0.mol

Synonyms:RAS 2410;RAS-2410;RAS2410;resminostat

Chemical Property of Resminostat

Chemical Property:

• PKA: 8.68±0.23(Predicted)
• PSA: 103.51000
• Density: 1.28±0.1 g/cm3 (20 oC 760 Torr), Calc.*
• LogP: 3.22640
• Solubility.: Soluble in DMSO
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 349.10962727
• Heavy Atom Count: 24
• Complexity: 548

Purity/Quality:

98% min ^*data from raw suppliers

Resminostat ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C=CC(=O)NO
• Isomeric SMILES: CN(C)CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)/C=C/C(=O)NO
• Recent ClinicalTrials: Resminostat for Maintenance Treatment of Patients With Advanced Stage Mycosis Fungoides (MF) or Sézary Syndrome (SS)
• Recent EU Clinical Trials: A multicentre, double blind, randomised, placebo controlled, Phase II trial to evaluate Resminostat for maintenance treatment of patients with advanced stage (Stage IIB-IVB) mycosis fungoides (MF) or Sézary Syndrome (SS) that have achieved disease control with systemic therapy – the RESMAIN Study
• Recent NIPH Clinical Trials: A Clinical trial for Resminostat to Investigate the Effect of Food
• Uses: Resminostat is an oral histone deacetylase (HDAC) inhibitor. It inhibits proliferation and induces apoptosis in multiple myeloma (MM) cells.

Technology Process of Resminostat

There total 1 articles about Resminostat 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:

→ (E)-3-[1-(4-dimethylaminomethylbenzenesulfonyl)-1H-pyrrol-3-yl]-N-hydroxyacrylamide (864814-88-0)

Guidance literature:

Reference yield:

(E)-3-[1-(4-dimethylaminomethylbenzenesulfonyl)-1H-pyrrol-3-yl]-N-hydroxyacrylamide (864814-88-0) → (E)-3-(1-(4-dimethylaminomethylbenzenesulfonyl)-1H-pyrrol-3-yl)-N-hydroxy-acrylamide hydrochloride 1:0.33

Guidance literature:

(E)-3-[1-(4-dimethylaminomethylbenzenesulfonyl)-1H-pyrrol-3-yl]-N-hydroxyacrylamide; With hydrogenchloride; In methanol; water;

With sodium hydroxide; In methanol; water;

Reference yield:

(E)-3-[1-(4-dimethylaminomethylbenzenesulfonyl)-1H-pyrrol-3-yl]-N-hydroxyacrylamide (864814-88-0) → (E)-3-(1-(4-dimethylaminomethylbenzenesulfonyl)-1H-pyrrol-3-yl)-N-hydroxy-acrylamide hydrochloride 1:0.95

Guidance literature:

With hydrogenchloride; In methanol; water; Heating / reflux;

Downstream raw materials:

(E)-3-[1-(4-dimethylaminomethyl-benzenesulfonyl)-1H-pyrrol-3-yl]-N-hydroxy-acrylamide p-toluenesulfonate

(E)-3-[1-(4-dimethylaminomethyl-benzenesulfonyl)-1H-pyrrol-3-yl]-N-hydroxy-acrylamide methanesulfonate

(E)-3-[1-(4-dimethylaminomethyl-benzenesulfonyl)-1H-pyrrol-3-yl]-N-hydroxy-acrylamide ethanesulfonate

(E)-3-[1-(4-dimethylaminomethyl-benzenesulfonyl)-1H-pyrrol-3-yl]-N-hydroxy-acrylamide naphthalene-2-sulfonate

Refernces

• 1、 -. "SULPHONYLPYRROLE HYDROCHLORIDE SALTS AS HISTONE DEACETYLASES INHIBITORS". Page/Page column 44. . Retrieved 2008/06/13.