REGRELOR

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H25N6O8P
Molecular Weight	532.4431
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[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=NXHAXEBZOXCDKD-XIXRRVGJSA-N

InChI=1S/C22H25N6O8P/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)/b9-8+/t14-,15+,17-,18-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H25N6O8P
Molecular Weight	532.4431
Charge	0
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
Lipophilic modifications to dinucleoside polyphosphates and nucleotides that confer antagonist properties at the platelet P2Y12 receptor.	2008 Feb 28	18232657

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:29:20 UTC 2023` Edited by `admin` on `Fri Dec 15 15:29:20 UTC 2023`
Record UNII	Q6C8TY6SW1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

REGRELOR

Official Name

English

regrelor [INN]

Common Name

English

ADENOSINE, N-((ETHYLAMINO)CARBONYL)-2',3'-O-((1S,2E)-3-PHENYL-2-PROPENYLIDENE)-, 5'-(DIHYDROGEN PHOSPHATE)

Common Name

English

N-(ETHYLCARBAMOYL)-2',3'-O-((1S,2E)-3-PHENYLPROP-2-EN-1-YLIDENE)ADENOSINE 5'-(DIHYDROGEN PHOSPHATE)

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1327