3,7-DIMETHYL-1-PROPARGYLXANTHINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H10N4O2
Molecular Weight	218.212
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,7-DIMETHYL-1-PROPARGYLXANTHINE

Structure Search

SMILES

CN1C=NC2=C1C(=O)N(CC#C)C(=O)N2C

InChI

InChIKey=IORPOFJLSIHJOG-UHFFFAOYSA-N

InChI=1S/C10H10N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h1,6H,5H2,2-3H3

HIDE SMILES / InChI

Molecular Formula	C10H10N4O2
Molecular Weight	218.212
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/3193854 | https://www.ncbi.nlm.nih.gov/pubmed/28928654

3,7-Dimethyl-1-propargylxanthine (DMPX) is a selective A2 adenosine receptor antagonist, which is widely used to determine the role of adenosine receptors in different processes or in the development of diseases.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Adenosine A2 receptor 7 Target ID: CHEMBL2094257 Sources: https://www.ncbi.nlm.nih.gov/pubmed/3193854	Antagonist 2778

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

PubMed

Title	Date	PubMed
3,7-Dimethyl-1-propargylxanthine: a potent and selective in vivo antagonist of adenosine analogs.	1988	3193854
Synthesis and structure-activity relationships of 3,7-dimethyl-1-propargylxanthine derivatives, A2A-selective adenosine receptor antagonists.	1997 Dec 19	9435909
Adenosine Receptor Stimulation by Polydeoxyribonucleotide Improves Tissue Repair and Symptomology in Experimental Colitis.	2016	27601997
Adenosine Receptor Stimulation Improves Glucocorticoid-Induced Osteoporosis in a Rat Model.	2017	28928654

Sample Use Guides

In Vivo Use Guide

in rats: 10 mg/kg/i.p

Route of Administration: Intravenous

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:32:14 UTC 2023` Edited by `admin` on `Fri Dec 15 18:32:14 UTC 2023`
Record UNII	5YFR5SPS6T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,7-DIMETHYL-1-PROPARGYLXANTHINE

Systematic Name

English

1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-3,7-DIMETHYL-1-(2-PROPYNYL)-

Systematic Name

English

1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-3,7-DIMETHYL-1-(2-PROPYN-1-YL)-

Systematic Name

English

THEOBROMINE, 1-(2-PROPYNYL)-

Systematic Name

English

DMPX

Common Name

English

NSC-242985

Code

English

Code System Code Type Description

CAS

14114-46-6