Tanomastat

Base Information

• Chemical Name: Tanomastat
• CAS No.: 179545-77-8
• Deprecated CAS: 215258-80-3
• Molecular Formula: C₂₃H₁₉ClO₃S
• Molecular Weight: 410.921
• UNII: AM1ZX94EXH
• DSSTox Substance ID: DTXSID60870145
• Nikkaji Number: J1.122.015K
• Wikipedia: Tanomastat
• Wikidata: Q76393588
• NCI Thesaurus Code: C1705
• Pharos Ligand ID: MUYYYQLZ71SM
• Metabolomics Workbench ID: 149719
• ChEMBL ID: CHEMBL261932
• Mol file: 179545-77-8.mol

Synonyms:Bay 12-9566;BAY 12-9566N;Bay 129566;Bay-12-9566;tanomastat

Chemical Property of Tanomastat

Chemical Property:

• Vapor Pressure: 3.07E-16mmHg at 25°C
• Melting Point: 110-110.5°C
• Refractive Index: 1.662
• Boiling Point: 620.1°C at 760mmHg
• PKA: 4.01±0.23(Predicted)
• Flash Point: 328.8°C
• PSA: 79.67000
• Density: 1.33g/cm³
• LogP: 6.07290
• Storage Temp.: -20°C Freezer
• Solubility.: Acetone (Slightly), Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (S
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 410.0743433
• Heavy Atom Count: 28
• Complexity: 504

Purity/Quality:

99% ^*data from raw suppliers

Tanomastat ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SCC(CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O
• Isomeric SMILES: C1=CC=C(C=C1)SC[C@@H](CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O
• Uses: A Matrix Metalloproteinase inhibitor. An angiogenesis inhibitor. Optical Rotation +82?(C 1.5 acetone) Tanomastat is an orally available, non-peptidic inhibitor of matrix metalloproteinase-2 (MMP-2), MMP-3, and MMP-9 (Kis = 11, 143, and 301 nM, respectively). It is active in various animal models of tumor metastasis and has been used in a phase III clinical trial in pancreatic, SCLC, NSCLC, and ovarian cancer patients. A Matrix Metalloproteinase inhibitor. An angiogenesis inhibitor.Optical Rotation +82° (C 1.5 acetone).

Technology Process of Tanomastat

There total 1 articles about Tanomastat 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:

→ tanomastat (179545-77-8,215258-80-3)

Guidance literature:

Refernces