155271-45-7

Basic information

• Product Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2-chloro-3,4-dimethoxyphenyl)et henyl)-1,3,7-trimethyl-,(E)-
• Synonyms: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2-chloro-3,4-dimethoxyphenyl)et henyl)-1,3,7-trimethyl-,(E)-
• CAS NO: 155271-45-7
• Molecular Formula: C18H19 Cl N4 O4
• Molecular Weight: 390.82
• Mol File: 155271-45-7.mol

Chemical Properties

• Boiling Point: 609.7°Cat760mmHg
• Flash Point: 322.6°C
• Appearance: /
• Density: 1.36g/cm³
• Vapor Pressure: 8.25E-15mmHg at 25°C
• Refractive Index: 1.622
• PKA: 0.01±0.70(Predicted)
• CAS DataBase Reference: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2-chloro-3,4-dimethoxyphenyl)et henyl)-1,3,7-trimethyl-,(E)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2-chloro-3,4-dimethoxyphenyl)et henyl)-1,3,7-trimethyl-,(E)-(155271-45-7)
• EPA Substance Registry System: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2-chloro-3,4-dimethoxyphenyl)et henyl)-1,3,7-trimethyl-,(E)-(155271-45-7)

Safety Data

• Hazardous Substances Data: 155271-45-7(Hazardous Substances Data)

Usage

Molecular structure

The compound has a purine ring with two methyl groups attached at positions 3 and 7, and a side chain containing a chloro-substituted phenyl ring.

Geometric configuration

The compound is in the E form, indicating its geometric configuration.

Derivative of caffeine

It is a derivative of caffeine and may possess various biological activities.

Pharmacological effects

Due to its structural similarity to caffeine, it may have potential pharmacological effects.

Chloro and dimethoxy substituents

The presence of these substituents on the phenyl ring may give it specific pharmacological properties.

Further research needed

The compound's exact pharmacological and biological activities, as well as its potential applications, need further investigation and research.

InChI:InChI=1/C18H19ClN4O4/c1-21-12(20-16-14(21)17(24)23(3)18(25)22(16)2)9-7-10-6-8-11(26-4)15(27-5)13(10)19/h6-9H,1-5H3/b9-7+

Relevant articles and documents

Antidepressants

The present invention relates to an antidepressant containing as an active ingredient a xanthine derivative or a pharmaceutically acceptable salt thereof, the xanthine derivative being represented by Formula (I) : STR1 in which R1, R2, and R3 represent independently hydrogen, lower alkyl, lower alkenyl; R4 represents cycloalkyl, --(CH2)n --R5 (in which R5 represents substituted or unsubstituted aryl or a substituted or unsubstituted heterocyclic group; and n is an integer of 0 to 4), or STR2 (in which Y1 and Y2 represent independently hydrogen, halogen or lower alkyl; and Z represents substituted or unsubstituted aryl, STR3 (in which R6 represents hydrogen, hydroxy, lower alkyl, lower alkoxy, halogen, nitro, or amino; and m represents an integer of 1 to 3), or a substituted or unsubstituted heterocyclic group); and X1 and X2 represent independently O or S.

Therapeutic agent for Parkinson's disease

Agents for the treatment of Parkinson''s disease contain, as an active ingredient, a xanthine derivative or a pharmaceutically acceptable salt thereof. The xanthine derivative is represented by the formula: STR1 in which R 1, R 2 are R 3 are independently hydrogen, lower alkyl, lower alkenyl, or lower alkynyl; and R 4 represents cycloalkyl, --(CH 2) n --R 5 (in which R 5 represents substituted or unsubstituted aryl or a substituted or unsubstituted heterocyclic group; and n is an integer of 0 to 4), or STR2 in which Y 1 and Y 2 represent independently hydrogen, halogen, or lower alkyl; and Z represents substituted or unsubstituted aryl, STR3 in which R 6 represents hydrogen, hydroxy, lower alkyl, lower alkoxy, halogen, nitro, or amino; and m represents an integer of 1 to 4, or a substituted or unsubstituted heterocyclic group; and X 1 and X 2 represent independently O or S.