MSX-3 FREE ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H23N4O7P
Molecular Weight	474.4037
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(\C=C\C2=NC3=C(N2C)C(=O)N(CC#C)C(=O)N3CCCOP(O)(O)=O)=CC=C1

InChI

InChIKey=DUCGTTGSVYZHJS-MDZDMXLPSA-N

InChI=1S/C21H23N4O7P/c1-4-11-25-20(26)18-19(24(21(25)27)12-6-13-32-33(28,29)30)22-17(23(18)2)10-9-15-7-5-8-16(14-15)31-3/h1,5,7-10,14H,6,11-13H2,2-3H3,(H2,28,29,30)/b10-9+

HIDE SMILES / InChI

Molecular Formula	C21H23N4O7P
Molecular Weight	474.4037
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Adenosine A2 receptor 9 Target ID: CHEMBL2094257 Sources: https://pubs.acs.org/doi/abs/10.1021/jm9911480?source=chemport	Antagonist 2849

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:58:50 GMT 2025` Edited by `admin` on `Mon Mar 31 21:58:50 GMT 2025`
Record UNII	72MRN83M4A
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-8-((1E)-2-(3-METHOXYPHENYL)ETHENYL)-7-METHYL-3-(3-(PHOSPHONOOXY)PROPYL)-1-(2-PROPYN-1-YL)-

Preferred Name

English

MSX-3 FREE ACID

Common Name

English

1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-8-((1E)-2-(3-METHOXYPHENYL)ETHENYL)-7-METHYL-3-(3-(PHOSPHONOOXY)PROPYL)-1-(2-PROPYNYL)-

Systematic Name

English

(3-(8-((1E)-2-(3-METHOXYPHENYL)ETHENYL)-7-METHYL-2,6-DIOXO-1-(PROP-2-YN-1-YL)-2,3,6,7-TETRAHYDRO-1H-PURIN-3-YL)PROPOXY)PHOSPHONIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

72MRN83M4A

Created by admin on Mon Mar 31 21:58:50 GMT 2025 , Edited by admin on Mon Mar 31 21:58:50 GMT 2025

PRIMARY

CAS

261705-79-7

Created by admin on Mon Mar 31 21:58:50 GMT 2025 , Edited by admin on Mon Mar 31 21:58:50 GMT 2025

PRIMARY

PUBCHEM

10256042

Created by admin on Mon Mar 31 21:58:50 GMT 2025 , Edited by admin on Mon Mar 31 21:58:50 GMT 2025

PRIMARY

Related Record Type Details


					72MRN83M4A

MSX-3 FREE ACID

ACTIVE MOIETY