Dabsyl-L-valine

Base Information

• Chemical Name: Dabsyl-L-valine
• CAS No.: 89131-11-3
• Molecular Formula: C19H24 N4 O4 S
• Molecular Weight: 404.49
• DSSTox Substance ID: DTXSID90555054
• Nikkaji Number: J208.361B
• Mol file: 89131-11-3.mol

Synonyms:Dabsyl-L-valine;89131-11-3;Dbs-Val-OH;4-Dimethylaminoazobenzene-4'-sulfonyl-L-valine;(2S)-2-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]-3-methylbutanoic acid;dabsylvaline;SCHEMBL1008119;DTXSID90555054;AJSKPBGSGLIRQK-SFHVURJKSA-N;Dabsyl-L-valine (Dbs-L-Val-OH);MFCD00059366;HY-W142132;CS-0201915;D1460;D89864;N-(4-{(E)-[4-(Dimethylamino)phenyl]diazenyl}benzene-1-sulfonyl)-L-valine;(S,E)-2-(4-((4-(dimethylamino)phenyl)diazenyl)phenylsulfonamido)-3-methylbutanoic acid

Chemical Property of Dabsyl-L-valine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.601
• Boiling Point: 615.438oC at 760 mmHg
• Flash Point: 326.005oC
• PSA: 119.81000
• Density: 1.274g/cm3
• LogP: 5.02720
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 404.15182643
• Heavy Atom Count: 28
• Complexity: 629

Purity/Quality:

98%,99%, ^*data from raw suppliers

Dabsyl-L-valine >98.0%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N(C)C
• Isomeric SMILES: CC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N(C)C

Technology Process of Dabsyl-L-valine

There total 4 articles about Dabsyl-L-valine 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:

L-valine (72-18-4,25609-85-2,7004-03-7,921-10-8) + dabsyl chloride (56512-49-3) → dabsyl-L-valine (89131-11-3)

Guidance literature:

With sodium hydrogencarbonate; In acetonitrile; pH=8.1;

DOI:10.1016/j.bmcl.2010.04.100

Reference yield:

trichoderin A1 (1236074-95-5) + dabsyl chloride (56512-49-3) → C18H22N4O4S + dabsyl-L-valine (89131-11-3) + C19H22N4O4S (89131-09-9) + C20H26N4O4S (89131-13-5)

Guidance literature:

trichoderin A₁; With hydrogenchloride; In water; at 110 ℃; for 20h;

dabsyl chloride; With sodium hydrogencarbonate; In acetonitrile; pH=8.1;

DOI:10.1016/j.bmcl.2010.04.100

Reference yield:

trichoderin B (1236074-96-6) + dabsyl chloride (56512-49-3) → C18H22N4O4S + dabsyl-L-valine (89131-11-3) + C19H22N4O4S (89131-09-9) + C20H26N4O4S (89131-13-5)

Guidance literature:

trichoderin B; With hydrogenchloride; In water; at 110 ℃; for 20h;

dabsyl chloride; With sodium hydrogencarbonate; In acetonitrile; pH=8.1;

DOI:10.1016/j.bmcl.2010.04.100

upstream raw materials:

trichoderin A

dabsyl chloride

trichoderin A₁

trichoderin B

Refernces

• 1、 Pruksakorn, Patamaporn,Arai, Masayoshi,Kotoku, Naoyuki,Vilchze, Catherine,Baughn, Anthony D.,Moodley, Prashini,Jacobs Jr., William R.,Kobayashi, Motomasa. "Trichoderins, novel aminolipopeptides from a marine sponge-derived Trichoderma sp., are active against dormant mycobacteria". experimental part. p. 3658 - 3663. Retrieved 2010/09/17.