2-Pyrrolino-dox

Base Information

• Chemical Name: 2-Pyrrolino-dox
• CAS No.: 175795-76-3
• Molecular Formula: C₃₁H₃₃NO₁₁
• Molecular Weight: 595.603
• DSSTox Substance ID: DTXSID50938708
• Nikkaji Number: J737.805J
• Wikidata: Q82915102
• Mol file: 175795-76-3.mol

Synonyms:2-pyrrolino-DOX;2-pyrrolinodoxorubicin;3'-deamino-3'-(2''-pyrroline-1''-yl)doxorubicin trifluoroacetate;AN 201;AN 204;AN-201;AN-204

Chemical Property of 2-Pyrrolino-dox

Chemical Property:

• Vapor Pressure: 1.21E-30mmHg at 25°C
• Boiling Point: 848.9°Cat760mmHg
• Flash Point: 467.2°C
• PSA: 183.29000
• Density: 1.57g/cm³
• LogP: 1.19990
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 595.20536087
• Heavy Atom Count: 43
• Complexity: 1130

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): A poison.
• Hazard Codes: A poison.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N6CCC=C6)O
• Isomeric SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N6CCC=C6)O

Technology Process of 2-Pyrrolino-dox

There total 1 articles about 2-Pyrrolino-dox 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: 35.0%

(8S,10S)-6,8,11-Trihydroxy-8-(2-hydroxy-acetyl)-10-[(2R,4S,5S,6S)-5-hydroxy-4-((S)-4-hydroxy-6-oxo-octylamino)-6-methyl-tetrahydro-pyran-2-yloxy]-1-methoxy-7,8,9,10-tetrahydro-naphthacene-5,12-dione (807332-65-6) → 2-pyrrolino doxorubicin (175795-76-3)

Guidance literature:

With aldolase mAb₉₃F₃; fetal calf serum; In various solvent(s); at 37 ℃; pH=7.4;

DOI:10.1002/chem.200400419

upstream raw materials:

(8S,10S)-6,8,11-Trihydroxy-8-(2-hydroxy-acetyl)-10-[(2R,4S,5S,6S)-5-hydroxy-4-((S)-4-hydroxy-6-oxo-octylamino)-6-methyl-tetrahydro-pyran-2-yloxy]-1-methoxy-7,8,9,10-tetrahydro-naphthacene-5,12-dione