Propentofylline

Base Information

• Chemical Name: Propentofylline
• CAS No.: 55242-55-2
• Molecular Formula: C15H22N4O3
• Molecular Weight: 306.365
• Hs Code.: 2933990090
• NSC Number: 752424
• UNII: 5RTA398U4H
• DSSTox Substance ID: DTXSID4045189
• Nikkaji Number: J22.661K
• Wikipedia: Propentofylline
• Wikidata: Q2888695
• NCI Thesaurus Code: C81919
• Metabolomics Workbench ID: 149801
• ChEMBL ID: CHEMBL1079905
• Mol file: 55242-55-2.mol

Synonyms:1-(5'-oxohexyl)-3-methyl-7-propylxanthine;HWA 285;HWA-285;propentofylline

Chemical Property of Propentofylline

Chemical Property:

• Appearance/Colour: Off-White Solid
• Vapor Pressure: 8.71E-12mmHg at 25°C
• Melting Point: 64-66 °C
• Refractive Index: 1.602
• Boiling Point: 541.4 °C at 760 mmHg
• PKA: 0.58±0.70(Predicted)
• Flash Point: 281.2 °C
• PSA: 78.89000
• Density: 1.25 g/cm³
• LogP: 1.06600
• Storage Temp.: −20°C
• Solubility.: H2O: soluble12.4mg/mL
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 306.16919058
• Heavy Atom Count: 22
• Complexity: 454

Purity/Quality:

99% ^*data from raw suppliers

Propentofylline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C
• Recent EU Clinical Trials: A Randomized, Double-Blind, Placebo-Controlled, Parallel Group Study Evaluating the Efficacy and Tolerability of Oral SLC022 300 mg TID, a Glial Cell Modulating Agent,
• Description: Propentofylline is a nootropic indicated for cerebrovascular disorders. Other indications currently under investigation include senile dementia, stroke and hypoxia.
• Uses: A c-AMP phosphodiesterase inhibitor. A nerve growth factor stimulator. An adenosine transport inhibitor. A non-selective adenosine receptor antagonist. Nootropic. A c-AMP phosphodiesterase inhibitor. A nerve growth factor stimulator. An adenosine transport inhibitor. A non-selective adenosine receptor antagonist. Nootropic

Technology Process of Propentofylline

There total 3 articles about Propentofylline 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: 90.0%

3-methyl-7-propyl-xanthine (55242-64-3) → propentofylline (55242-55-2)

Guidance literature:

With sodium hydroxide; In methanol; water;

Reference yield: 90.0%

6-Bromo-2-hexanone (10226-29-6) + 3-methyl-7-propyl-xanthine (55242-64-3) → propentofylline (55242-55-2)

Guidance literature:

In methanol; water;

Reference yield:

→ propentofylline (55242-55-2)

Guidance literature:

3-Methyl-7-propylxanthin, NaOH, 1-Bromhexan-5-on/Δ;

upstream raw materials:

6-Bromo-2-hexanone

3-methyl-7-propyl-xanthine

Downstream raw materials:

A 720287

Refernces

• 1、 -. "Use of antibodies to TNF or fragments derived thereof and xanthine derivatives for combination therapy and compositions therefor". . . Retrieved 2008/06/13.
• 2、 -. "Use of 1-(5-oxohexyl)-3-methyl-7-n-propylxanthine in vascular surgery". . . Retrieved 2008/06/13.