[Des-Arg9]-BRADYKININ

Base Information

• Chemical Name: [Des-Arg9]-BRADYKININ
• CAS No.: 15958-92-6
• Molecular Formula: C44H61N11O10
• Molecular Weight: 904.036
• UNII: 58QE2VVE3Q
• Nikkaji Number: J246.187K
• ChEMBL ID: CHEMBL1890370
• Mol file: 15958-92-6.mol

Synonyms:9-de-Arg-bradykinin;9-des-arg-BK;bradykinin, des-Arg(9)-;bradykinin, des-Arg(9)-, diacetate salt;bradykinin, des-Arg(9)-, monoacetate salt;bradykinin, des-arginine(9)-;des-Arg(9)-bradykinin

Chemical Property of [Des-Arg9]-BRADYKININ

Chemical Property:

• Refractive Index: 1.686
• PKA: 3.56±0.10(Predicted)
• PSA: 322.78000
• Density: 1.471 g/cm³
• LogP: 0.95140
• Storage Temp.: −20°C
• XLogP3: -3.3
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 21
• Exact Mass: 903.46028719
• Heavy Atom Count: 65
• Complexity: 1720

Purity/Quality:

98%Min ^*data from raw suppliers

Bradykinin [des-Arg9] ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(N(C1)C(=O)C2CCCN2C(=O)C(CCCN=C(N)N)N)C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)NC(CO)C(=O)N4CCCC4C(=O)NC(CC5=CC=CC=C5)C(=O)O
• Isomeric SMILES: C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)N)C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)O
• Uses: [Des-Arg9]-Bradykinin was used to study new bradykinin antagonists having very high potency at B1 receptors.

Technology Process of [Des-Arg9]-BRADYKININ

There total 1 articles about [Des-Arg9]-BRADYKININ 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:

bradykinin (58-82-2) → L-arginine (74-79-3,25212-18-4) + des-Arg(9)-BK (15958-92-6)

Guidance literature:

With wheat carboxypeptidase from wheat bran; at 30 ℃; Rate constant; pH 4.0; structure-reactivity relationship;

DOI:10.1016/0031-9422(83)83054-4

Reference yield:

methanol (67-56-1) + des-Arg(9)-BK (15958-92-6) → C45H63N11O10

Guidance literature:

With sulfuric acid; for 24h; Ambient temperature;

DOI:10.1021/ja9609157

Reference yield:

acetic anhydride (108-24-7) + des-Arg(9)-BK (15958-92-6) → C46H63N11O11

Guidance literature:

With 4-morpholineethanesulfonic acid buffer pH 6;

DOI:10.1021/ja9542193

upstream raw materials:

bradykinin

Refernces