Diaplasinin

Base Information

• Chemical Name: Diaplasinin
• CAS No.: 481631-45-2
• Molecular Formula: C₃₂H₃₁N₅O
• Molecular Weight: 501.631
• UNII: NRL66AVH63
• DSSTox Substance ID: DTXSID00197449
• Wikidata: Q27285016
• NCI Thesaurus Code: C72739
• ChEMBL ID: CHEMBL2107332
• Mol file: 481631-45-2.mol

Synonyms:1-benzyl-3-pentyl-2-(6-(1H-tetrazol-5-ylmethoxy)naphthalen-2-yl)-1H-indole;PAI 749;PAI-749;PAI749

Chemical Property of Diaplasinin

Chemical Property:

• Vapor Pressure: 6.01E-23mmHg at 25°C
• Boiling Point: 759.2°Cat760mmHg
• Flash Point: 413°C
• PSA: 68.62000
• Density: 1.21g/cm³
• LogP: 7.33460
• XLogP3: 8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 501.25286063
• Heavy Atom Count: 38
• Complexity: 716

Purity/Quality:

99% ^*data from raw suppliers

DIAPLASININ 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)C4=CC5=C(C=C4)C=C(C=C5)OCC6=NNN=N6
• Uses: Treatment of fibrinolytic impairment diseases.

Technology Process of Diaplasinin

There total 3 articles about Diaplasinin 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: 68.8%

→ 1-benzyl-3-pentyl-2-[6-(1H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1H-indole (481631-45-2)

Guidance literature:

In ethyl acetate; at 22 - 38 ℃; for 19h; Purification / work up;

Reference yield:

C37H39N5O2 + C37H39N5O2 → 1-benzyl-3-pentyl-2-[6-(1H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1H-indole (481631-45-2)

Guidance literature:

C₃₇H₃₉N₅O₂; C₃₇H₃₉N₅O₂; With hydrogenchloride; methanol; water; In toluene; at 20 ℃; for 0.5 - 1h;

With sodium hydroxide; In methanol; water; toluene; pH=4;

Reference yield:

{[6-(1-benzyl-3-pentyl-1H-indol-2-yl)-2-naphthyl]oxy}acetonitrile (481631-60-1) → 1-benzyl-3-pentyl-2-[6-(1H-tetrazol-5-ylmethoxy)naphthalen-2-yl]-1H-indole (481631-45-2)

Guidance literature:

With sodium azide; ammonium chloride; In diethyl ether; N,N-dimethyl-formamide;

upstream raw materials:

{[6-(1-benzyl-3-pentyl-1H-indol-2-yl)-2-naphthyl]oxy}acetonitrile

Refernces

• 1、 -. "Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1)". . . Retrieved 2008/06/13.