Tat-BP

Base Information

• Chemical Name: Tat-BP
• CAS No.: 94102-64-4
• Deprecated CAS: 118013-66-4
• Molecular Formula: C37H59N7O20
• Molecular Weight: 921.91
• DSSTox Substance ID: DTXSID90276530
• Wikidata: Q27095473
• Metabolomics Workbench ID: 56697
• Mol file: 94102-64-4.mol

Synonyms:TAT-BP;tracheal cytotoxin, Bordetella pertussis

Chemical Property of Tat-BP

Chemical Property:

• Boiling Point: 1400.2°Cat760mmHg
• Flash Point: 800.6°C
• PSA: 419.36000
• Density: 1.49g/cm³
• LogP: -3.09490
• XLogP3: -7.6
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 24
• Exact Mass: 921.38148730
• Heavy Atom Count: 64
• Complexity: 1710

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NC(CCC(=O)NC(CCCC(C(=O)O)N)C(=O)NC(C)C(=O)O)C(=O)O)NC(=O)C(C)OC1C(C2OCC(C1OC3C(C(C(C(O3)CO)O)O)NC(=O)C)O2)NC(=O)C
• Isomeric SMILES: C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C

Technology Process of Tat-BP

There total 2 articles about Tat-BP 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: 100.0%

C80H93N7O22 → GlcNAc-(β1-4)-(anhydro)MurNAc-L-Ala-γ-D-Glu-meso-DAP-D-Ala (94102-64-4)

Guidance literature:

With hydrogen; palladium(II) hydroxide; In tetrahydrofuran; for 24h; under 14711.4 Torr;

DOI:10.1002/chem.200801121

Reference yield:

C72H85N9O20 → GlcNAc-(β1-4)-(anhydro)MurNAc-L-Ala-γ-D-Glu-meso-DAP-D-Ala (94102-64-4)

Guidance literature:

C₇₂H₈₅N₉O₂₀; With acetic acid; at 80 ℃; for 2h; Inert atmosphere;

With palladium on activated carbon; hydrogen; at 20 ℃; for 18h; Inert atmosphere;

DOI:10.1002/anie.201611279

Refernces

• 1、 Kawasaki, Akiko,Karasudani, Yukie,Otsuka, Yuji,Hasegawa, Mizuho,Inohara, Naohiro,Fujimoto, Yukari,Fukase, Koichi. "Synthesis of diaminopimelic acid containing peptidoglycan fragments and tracheal cytotoxin (TCT) and investigation of their biological functions". experimental part. p. 10318 - 10330. Retrieved 2009/11/30.