2-(1-Dimethylaminomethyl-2-hydroxy-8-hydroxymethyl-9-oxo-9,11-dihydro-indolizino[1,2-B]quinolin-7-YL)-2-hydroxy-butyric acid

Base Information

• Chemical Name: 2-(1-Dimethylaminomethyl-2-hydroxy-8-hydroxymethyl-9-oxo-9,11-dihydro-indolizino[1,2-B]quinolin-7-YL)-2-hydroxy-butyric acid
• CAS No.: 132877-29-3
• Molecular Formula: C₂₃H₂₅N₃O₆
• Molecular Weight: 439.468
• UNII: V2Q5PG98DR
• DSSTox Substance ID: DTXSID20157828
• Nikkaji Number: J2.256.758F,J364.124D
• Wikidata: Q27466745
• Mol file: 132877-29-3.mol

Synonyms:Hydrotopotecan;132877-29-3;Topotecancarboxylic acid;Topotecan acid sodium salt;SKF 105992;V2Q5PG98DR;2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-INDOLIZINO[1,2-B]QUINOLIN-7-YL)-2-HYDROXY-BUTYRIC ACID;(2S)-2-[1-[(dimethylamino)methyl]-2-hydroxy-8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid;TTG;UNII-V2Q5PG98DR;SCHEMBL9971289;DTXSID20157828;SKF-105992;Q27466745;(alphaS)-alpha-Hydroxy-8-oxylato-1(11H)-oxo-alpha-ethyl-2-(hydroxymethyl)-9-(dimethylaminiomethyl)-5,11a-diaza-11aH-benzo[b]fluorene-3-acetic acid anion;INDOLIZINO(1,2-B)QUINOLINE-7-ACETIC ACID, 1-((DIMETHYLAMINO)METHYL)-.ALPHA.-ETHYL-9,11-DIHYDRO-.ALPHA.,2-DIHYDROXY-8-(HYDROXYMETHYL)-9-OXO-, (.ALPHA.S)-

Chemical Property of 2-(1-Dimethylaminomethyl-2-hydroxy-8-hydroxymethyl-9-oxo-9,11-dihydro-indolizino[1,2-B]quinolin-7-YL)-2-hydroxy-butyric acid

Chemical Property:

• Vapor Pressure: 2.59E-27mmHg at 25°C
• Boiling Point: 804.3°Cat760mmHg
• PKA: 2.86±0.10(Predicted)
• Flash Point: 440.2°C
• PSA: 138.95000
• Density: 1.52g/cm³
• LogP: 0.03220
• XLogP3: -2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 439.17433553
• Heavy Atom Count: 32
• Complexity: 855

Purity/Quality:

98%min ^*data from raw suppliers

TOPOTECAN ACID SODIUM SALT 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C1=C(C(=O)N2CC3=CC4=C(C=CC(=C4CN(C)C)O)N=C3C2=C1)CO)(C(=O)O)O
• Isomeric SMILES: CC[C@](C1=C(C(=O)N2CC3=CC4=C(C=CC(=C4CN(C)C)O)N=C3C2=C1)CO)(C(=O)O)O

Technology Process of 2-(1-Dimethylaminomethyl-2-hydroxy-8-hydroxymethyl-9-oxo-9,11-dihydro-indolizino[1,2-B]quinolin-7-YL)-2-hydroxy-butyric acid

There total 1 articles about 2-(1-Dimethylaminomethyl-2-hydroxy-8-hydroxymethyl-9-oxo-9,11-dihydro-indolizino[1,2-B]quinolin-7-YL)-2-hydroxy-butyric acid 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:

topotecan (123948-87-8) → Topotecan hydroxyl acid (132877-29-3)

Guidance literature:

With phosphate buffer; Ambient temperature; other camptothecin lactone; also in the presence of DNA oligonucleotides; rate of hydrolysis;

DOI:10.1021/ja973433j

upstream raw materials:

topotecan

Refernces

• 1、 Assali, Mohyeddin,Cid, Juan-Jose,Fernandez, Inmaculada,Khiar, Noureddine. "Supramolecular diversity through click chemistry: Switching from nanomicelles to 1D-nanotubes and tridimensional hydrogels". . p. 4250 - 4261. Retrieved 2013.