1-Piperazinepentanamide, N-((1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl)-2-(((1,1-dimethylethyl)amino)carbonyl)-4-(furo(2,3-b)pyridin-5-ylmethyl)-gamma-hydroxy-alpha-(phenylmethyl)-, (alphaR,gammaS,2S)-

Base Information

• Chemical Name: 1-Piperazinepentanamide, N-((1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl)-2-(((1,1-dimethylethyl)amino)carbonyl)-4-(furo(2,3-b)pyridin-5-ylmethyl)-gamma-hydroxy-alpha-(phenylmethyl)-, (alphaR,gammaS,2S)-
• CAS No.: 160729-91-9
• Molecular Formula: C₃₈H₄₇N₅O₅
• Molecular Weight: 653.822
• Nikkaji Number: J682.223A
• Metabolomics Workbench ID: 126560
• ChEMBL ID: CHEMBL2062137
• Mol file: 160729-91-9.mol

Synonyms:L 754,394;L 754394;L-754,394;L-754394;N-(2-hydroxy-1-indanyl)-5-(2-(1,1-dimethylethylaminocarbonyl)-4-((furano(2,3-b)pyridin-5-yl)methyl)piperazin-1-yl)-4-hydroxy-2-phenylmethylpentanamide

Chemical Property of 1-Piperazinepentanamide, N-((1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl)-2-(((1,1-dimethylethyl)amino)carbonyl)-4-(furo(2,3-b)pyridin-5-ylmethyl)-gamma-hydroxy-alpha-(phenylmethyl)-, (alphaR,gammaS,2S)-

Chemical Property:

• Vapor Pressure: 3.97E-35mmHg at 25°C
• Boiling Point: 903.1°Cat760mmHg
• Flash Point: 500°C
• PSA: 131.17000
• Density: 1.29g/cm³
• LogP: 4.27070
• Storage Temp.: 2-8°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 653.35771962
• Heavy Atom Count: 48
• Complexity: 1060

Purity/Quality:

95+% ^*data from raw suppliers

Compound K 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=CN=C6C(=C5)C=CO6
• Isomeric SMILES: CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=C6C(=C5)C=CO6

Technology Process of 1-Piperazinepentanamide, N-((1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl)-2-(((1,1-dimethylethyl)amino)carbonyl)-4-(furo(2,3-b)pyridin-5-ylmethyl)-gamma-hydroxy-alpha-(phenylmethyl)-, (alphaR,gammaS,2S)-

There total 1 articles about 1-Piperazinepentanamide, N-((1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl)-2-(((1,1-dimethylethyl)amino)carbonyl)-4-(furo(2,3-b)pyridin-5-ylmethyl)-gamma-hydroxy-alpha-(phenylmethyl)-, (alphaR,gammaS,2S)- 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%

[14C]-N-Dealkyl Indinavir (150323-38-9) + 5-(chloromethyl)furo[2,3-b]pyridine (160729-78-2) → L 754394 (160729-91-9)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; for 48h;

DOI:10.1021/jm9903848

upstream raw materials:

[14C]-N-Dealkyl Indinavir

5-(chloromethyl)furo[2,3-b]pyridine

Refernces