REGRELOR DISODIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H23N6O8P.2Na
Molecular Weight	576.4067
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].[H][C@]12O[C@@H](O[C@@]1([H])[C@@H](O[C@@H]2COP([O-])([O-])=O)N3C=NC4=C(NC(=O)NCC)N=CN=C34)\C=C\C5=CC=CC=C5

InChI

InChIKey=MKQKPLQMNCXTJE-VEZQGTPESA-L

InChI=1S/C22H25N6O8P.2Na/c1-2-23-22(29)27-19-16-20(25-11-24-19)28(12-26-16)21-18-17(14(34-21)10-33-37(30,31)32)35-15(36-18)9-8-13-6-4-3-5-7-13;;/h3-9,11-12,14-15,17-18,21H,2,10H2,1H3,(H2,30,31,32)(H2,23,24,25,27,29);;/q;2*+1/p-2/b9-8+;;/t14-,15+,17-,18-,21-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

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

Molecular Formula	C22H23N6O8P
Molecular Weight	530.4272
Charge	-2
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/17654304| https://clinicaltrials.gov/ct2/show/NCT00316212 | http://www.bloodjournal.org/content/106/11/2172

Regrelor (INS50589) is a P2Y(12) ADP-receptor antagonist that regulates platelet function. Regrelor was found to be well-tolerated and have reversible effects. Its potential therapeutic utility in various cardiovascular settings has been studied. Initial results of canine models suggested that regrelor should be effective in protecting platelet function and reducing blood loss in human patients undergoing open-heart surgery. A phase II study testing regrelor for its safety and efficacy in reduction of postoperative bleeding and blood product transfusion was terminated due to adverse effects.

Originator

Approval Year

PubMed

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:29:20 GMT 2023` Edited by `admin` on `Fri Dec 15 15:29:20 GMT 2023`
Record UNII	6MU6U599QZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

REGRELOR DISODIUM

Official Name

English

DISODIUM N-(ETHYLCARBAMOYL)-2',3'-O-((1S,2E)-3-PHENYL-2-PROPENYLIDENE)-5'-ADENYLATE

Common Name

English

INS50589

Code

English

REGRELOR DISODIUM [USAN]

Common Name

English

INS-50589

Code

English

5'-ADENYLIC ACID, N-((ETHYLAMINO)CARBONYL)-2',3'-O-((1S,2E)-3-PHENYL-2-PROPENYLIDENE)-, DISODIUM SALT

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C80483