Dihydromicrocystin-LR

Base Information

• Chemical Name: Dihydromicrocystin-LR
• CAS No.: 129678-94-0
• Molecular Formula: C₄₉H₇₆N₁₀O₁₂
• Molecular Weight: 997.202
• DSSTox Substance ID: DTXSID801339234
• Mol file: 129678-94-0.mol

Synonyms:cyclo(Ala-Leu-beta-methyl-Asp-Arg-ADDA-Glu-N-methyldehydro-Ala);cyclo(alanyl-leucyl-beta-methyl-aspartyl-arginyl-(3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid)-glutamyl-N-methyldehydroalanyl);dihydromicrocystin LR;dihydromicrocystin-LR

Chemical Property of Dihydromicrocystin-LR

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 340.64000
• Density: 1.3g/cm³
• LogP: 3.80450
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 15
• Exact Mass: 996.56441790
• Heavy Atom Count: 71
• Complexity: 1950

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(N(C(=O)CCC(NC1=O)C(=O)O)C)C)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C
• Isomeric SMILES: CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(N(C(=O)CCC(NC1=O)C(=O)O)C)C)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/C(C)C(CC2=CC=CC=C2)OC)/C

Technology Process of Dihydromicrocystin-LR

There total 1 articles about Dihydromicrocystin-LR 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:

microcystin-LR (101043-37-2) → [3H]-Dihydromicrocystin LR (129678-94-0)

Guidance literature:

With sodium tetrahydroborate; In water; for 26h; Ambient temperature;

DOI:10.1021/jo00312a019

upstream raw materials:

microcystin-LR

Refernces

• 1、 Mehrotra, Amit P.,Webster, Kerri L.,Gani, David. "Design and preparation of serine-threonine protein phosphatase inhibitors based upon the nodularin and microcystin toxin structures: Part 1. Evaluation of key inhibitory features and synthesis of a rationally stripped-down nodularin macrocycle". . p. 2495 - 2511. Retrieved 2007/10/03.