Telomerase Inhibitor IX

Base Information

• Chemical Name: Telomerase Inhibitor IX
• CAS No.: 368449-04-1
• Molecular Formula: C20H16N2O6
• Molecular Weight: 380.357
• European Community (EC) Number: 684-458-2
• DSSTox Substance ID: DTXSID90439103
• Nikkaji Number: J816.822I
• Wikidata: Q27166764
• Pharos Ligand ID: KZHH2M2WQCZC
• ChEMBL ID: CHEMBL2170856
• Mol file: 368449-04-1.mol

Synonyms:MST 312;MST-312;MST312

Chemical Property of Telomerase Inhibitor IX

Chemical Property:

• PSA: 146.10000
• LogP: 3.78160
• Storage Temp.: 2-8°C
• Solubility.: DMSO: ≥20mg/mL
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 380.10083623
• Heavy Atom Count: 28
• Complexity: 513

Purity/Quality:

97% ^*data from raw suppliers

MST-312 ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: N
• Statements: 50
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O
• Uses: MST-312 has been used in cell invasion assay using mouse fibroblast cells (NIH-3T3) and in the co-immunoprecipitation experiments in colon fibroblast.

Technology Process of Telomerase Inhibitor IX

There total 3 articles about Telomerase Inhibitor IX 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: 84.0%

1,3-bis(2,3-dimethoxybenzamido)benzene → N,N'-bis(2,3-dihydroxybenzoyl)-1,3-phenylenediamine (368449-04-1)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 20 ℃;

DOI:10.1021/ja0104507

Reference yield:

m-phenylenediamine (108-45-2,64554-26-3,76583-20-5) → N,N'-bis(2,3-dihydroxybenzoyl)-1,3-phenylenediamine (368449-04-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 91 percent / Et₃N / CH₂Cl₂

2: 84 percent / BBr₃ / CH₂Cl₂ / -78 - 20 °C

With boron tribromide; triethylamine; In dichloromethane;

DOI:10.1021/ja0104507

Reference yield:

2,3-dimethoxybenzoyl chloride (7169-06-4) → N,N'-bis(2,3-dihydroxybenzoyl)-1,3-phenylenediamine (368449-04-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 91 percent / Et₃N / CH₂Cl₂

2: 84 percent / BBr₃ / CH₂Cl₂ / -78 - 20 °C

With boron tribromide; triethylamine; In dichloromethane;

DOI:10.1021/ja0104507

upstream raw materials:

m-phenylenediamine

2,3-dimethoxybenzoyl chloride