MSX-3

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H21N4O7P.2Na
Molecular Weight	518.3673
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].COC1=CC(\C=C\C2=NC3=C(N2C)C(=O)N(CC#C)C(=O)N3CCCOP([O-])([O-])=O)=CC=C1

InChI

InChIKey=ZYVZWCILYQDHNU-TTWKNDKESA-L

InChI=1S/C21H23N4O7P.2Na/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);;/q;2*+1/p-2/b10-9+;;

HIDE SMILES / InChI

Molecular Formula	C21H21N4O7P
Molecular Weight	472.3878
Charge	-2
Count

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

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
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 `Wed Apr 02 10:14:42 GMT 2025` Edited by `admin` on `Wed Apr 02 10:14:42 GMT 2025`
Record UNII	JG3WXY7PD2
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)-, SODIUM SALT (1:2)

Preferred Name

English

MSX-3

Code

English

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

Systematic Name

English

MSX3

Code

English

Code System Code Type Description

FDA UNII

JG3WXY7PD2

Created by admin on Wed Apr 02 10:14:42 GMT 2025 , Edited by admin on Wed Apr 02 10:14:42 GMT 2025

PRIMARY

CAS

261717-23-1

Created by admin on Wed Apr 02 10:14:42 GMT 2025 , Edited by admin on Wed Apr 02 10:14:42 GMT 2025

PRIMARY

PUBCHEM

10256041

Created by admin on Wed Apr 02 10:14:42 GMT 2025 , Edited by admin on Wed Apr 02 10:14:42 GMT 2025

PRIMARY

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ACTIVE MOIETY