Bz-Dab(nbd)-awfpp-nle-NH2

Base Information

• Chemical Name: Bz-Dab(nbd)-awfpp-nle-NH2
• CAS No.: 161238-74-0
• Molecular Formula: C₅₆H₆₅N₁₃O₁₁
• Molecular Weight: 1096.21
• DSSTox Substance ID: DTXSID10167092
• Wikidata: Q83036411
• Mol file: 161238-74-0.mol

Synonyms:Bz-Dab(NBD)-Ala-Trp-Phe-Pro-Pro-Nle-NH2;Bz-Dab(NBD)-AWFPP-Nle-NH2;N-alpha-benzoyl-(gamma-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)-2,4-diaminobutyryl)-alanyl-tryptophyl-phenylalanyl-prolyl-prolyl-norleucinamide;N-alpha-benzoyl-Dab(gamma-NBD)-Ala-D-Trp-Phe-D-Pro-Pro-Nle-NH2

Chemical Property of Bz-Dab(nbd)-awfpp-nle-NH2

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 360.21000
• Density: 1.369g/cm³
• LogP: 8.87260
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 24
• Exact Mass: 1095.49264994
• Heavy Atom Count: 80
• Complexity: 2170

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C(=O)N)NC(=O)C1CCCN1C(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(C)NC(=O)C(CCNC6=CC=C(C7=NON=C67)[N+](=O)[O-])NC(=O)C8=CC=CC=C8
• Isomeric SMILES: CCCC[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H]2CCCN2C(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](C)NC(=O)[C@H](CCNC6=CC=C(C7=NON=C67)[N+](=O)[O-])NC(=O)C8=CC=CC=C8

Technology Process of Bz-Dab(nbd)-awfpp-nle-NH2

There total 1 articles about Bz-Dab(nbd)-awfpp-nle-NH2 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: 57.0%

4-fluoro-7-nitro-2,1,3-benzoxadiazole (29270-56-2) + PhCO-Dab-Ala-D-Trp-Phe-D-Pro-Pro-Nle-NH2 → PhCO-Dab(γ-NBD)-Ala-D-Trp-Phe-D-Pro-Pro-Nle-NH2 (161238-74-0)

Guidance literature:

With sodium borate; In N,N-dimethyl-formamide; at 4 ℃; for 1.5h;

DOI:10.1021/jm00039a012

upstream raw materials:

4-fluoro-7-nitro-2,1,3-benzoxadiazole