Tubacin

Base Information

• Chemical Name: Tubacin
• CAS No.: 537049-40-4
• Molecular Formula: C₄₁H₄₃N₃O₇S
• Molecular Weight: 721.874
• UNII: 02C2G1D30D
• Wikidata: Q27089032
• Pharos Ligand ID: GURU748M31W8
• ChEMBL ID: CHEMBL356769
• Mol file: 537049-40-4.mol

Synonyms:tubacin

Chemical Property of Tubacin

Chemical Property:

• Melting Point: 155 - 157°C
• PSA: 168.45000
• LogP: 9.08700
• Storage Temp.: ?20°C
• Solubility.: DMSO: ≥10mg/mL
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 16
• Exact Mass: 721.28217189
• Heavy Atom Count: 52
• Complexity: 1060

Purity/Quality:

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

Tubacin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NO)CSC4=NC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6
• Isomeric SMILES: C1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NO)CSC4=NC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6
• Uses: Tubacin is tubulin acetylation inducer that selectively inhibits histone deacetylase (HDAC6).

Technology Process of Tubacin

There total 1 articles about Tubacin 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: 46.0%

C42H44N2O7S (1226792-11-5) → tubacin (1350555-93-9,537049-40-4)

Guidance literature:

With hydroxylamine hydrochloride; potassium hydroxide; In methanol; at 20 ℃; for 16h;

DOI:10.2174/157017810790533913

upstream raw materials:

C₄₂H₄₄N₂O₇S

Refernces