Peplomycin

Base Information

• Chemical Name: Peplomycin
• CAS No.: 68247-85-8
• Deprecated CAS: 69308-18-5,70223-25-5,71247-73-9
• Molecular Formula: C61H88N18O21S2
• Molecular Weight: 1473.61
• European Community (EC) Number: 269-484-0
• UNII: 56H9L80NIZ
• DSSTox Substance ID: DTXSID701024414
• Nikkaji Number: J37.195E
• Wikidata: Q27261405
• NCI Thesaurus Code: C1399
• ChEMBL ID: CHEMBL3990196
• Mol file: 68247-85-8.mol

Synonyms:NK 631;NK-631;NK631;Pepleomycin;Peplomycin;Peplomycin Sulfate;Peplomycin Sulfate (1:1);Sulfate, Peplomycin

Chemical Property of Peplomycin

Chemical Property:

• Refractive Index: 1.688
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 695.58000
• Density: 1.56g/cm³
• LogP: -0.11200
• Storage Temp.: -20°C
• XLogP3: -6.7
• Hydrogen Bond Donor Count: 21
• Hydrogen Bond Acceptor Count: 32
• Rotatable Bond Count: 38
• Exact Mass: 1472.58128424
• Heavy Atom Count: 102
• Complexity: 2740

Purity/Quality:

99% ^*data from raw suppliers

FXYD1 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNC(C)C7=CC=CC=C7)O
• Isomeric SMILES: CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCN[C@@H](C)C7=CC=CC=C7)O
• Uses: Antineoplastic.
• Therapeutic Function: Antineoplastic

Technology Process of Peplomycin

There total 1 articles about Peplomycin 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:

→ 3<(S)-1'-Phenylethylamino>-propylaminbleomycin (68247-85-8)

Guidance literature:

Bleomycinsaeure 1.)N-Methylmorpholin-CCBT 2.) N-<(S)-1'-Phenylethyl>1,3-diamino-propan;