Oct-lys-upoc

Base Information

• Chemical Name: Oct-lys-upoc
• CAS No.: 100566-83-4
• Molecular Formula: C₂₄H₃₉N₅O₉
• Molecular Weight: 541.602
• DSSTox Substance ID: DTXSID70143392
• Wikidata: Q83007234
• Metabolomics Workbench ID: 143844
• Mol file: 100566-83-4.mol

Synonyms:N-epsilon-(octanoyl)lysyl-uracil polyoxin C;Oct-Lys-UPOC

Chemical Property of Oct-lys-upoc

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 226.07000
• Density: 1.339g/cm³
• LogP: 0.18160
• XLogP3: -2.6
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 16
• Exact Mass: 541.27477784
• Heavy Atom Count: 38
• Complexity: 883

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCNC(=O)CCCCC(C(=O)NC(C1C(C(C(O1)N2C=CC(=O)NC2=O)O)O)C(=O)O)N
• Isomeric SMILES: CCCCCCCNC(=O)CCCC[C@@H](C(=O)N[C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)C(=O)O)N

Technology Process of Oct-lys-upoc

There total 3 articles about Oct-lys-upoc 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:

(S)-((S)-2-Benzyloxycarbonylamino-6-octanoylamino-hexanoylamino)-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-acetic acid (130932-95-5) → N-ε-octanoyllysyl-uracil polyoxin C (100566-83-4)

Guidance literature:

With formic acid; palladium; In methanol;

DOI:10.1021/jm00105a026

Reference yield:

1-(5'-amino-5'-deoxy-α-D-allofuranuronosyl)uracil (24695-48-5) → N-ε-octanoyllysyl-uracil polyoxin C (100566-83-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / diisopropylamine / dimethylsulfoxide / 20 h / Ambient temperature

2: 78 mg / 90percent formic acid / Pd / methanol

With formic acid; diisopropylamine; palladium; In methanol; dimethyl sulfoxide;

DOI:10.1021/jm00105a026

Reference yield:

N-α-(benzyloxycarbonyl)-N-ε-octanoyllysine p-nitrophenyl ester (100566-81-2) → N-ε-octanoyllysyl-uracil polyoxin C (100566-83-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / diisopropylamine / dimethylsulfoxide / 20 h / Ambient temperature

2: 78 mg / 90percent formic acid / Pd / methanol

With formic acid; diisopropylamine; palladium; In methanol; dimethyl sulfoxide;

DOI:10.1021/jm00105a026

upstream raw materials:

(S)-((S)-2-Benzyloxycarbonylamino-6-octanoylamino-hexanoylamino)-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-yl]-acetic acid

1-(5'-amino-5'-deoxy-α-D-allofuranuronosyl)uracil

N-α-(benzyloxycarbonyl)-N-ε-octanoyllysine p-nitrophenyl ester