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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 of REGRELOR

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

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.

Approval Year

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Wed Jul 05 22:59:07 UTC 2023
Edited
by admin
on Wed Jul 05 22:59:07 UTC 2023
Record UNII
Q6C8TY6SW1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
REGRELOR
INN  
INN  
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
Created by admin on Wed Jul 05 22:59:08 UTC 2023 , Edited by admin on Wed Jul 05 22:59:08 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL1162175
Created by admin on Wed Jul 05 22:59:08 UTC 2023 , Edited by admin on Wed Jul 05 22:59:08 UTC 2023
PRIMARY
PUBCHEM
11273179
Created by admin on Wed Jul 05 22:59:08 UTC 2023 , Edited by admin on Wed Jul 05 22:59:08 UTC 2023
PRIMARY
WIKIPEDIA
Regrelor
Created by admin on Wed Jul 05 22:59:08 UTC 2023 , Edited by admin on Wed Jul 05 22:59:08 UTC 2023
PRIMARY
DRUG BANK
DB05553
Created by admin on Wed Jul 05 22:59:08 UTC 2023 , Edited by admin on Wed Jul 05 22:59:08 UTC 2023
PRIMARY
INN
8830
Created by admin on Wed Jul 05 22:59:08 UTC 2023 , Edited by admin on Wed Jul 05 22:59:08 UTC 2023
PRIMARY
DAILYMED
Q6C8TY6SW1
Created by admin on Wed Jul 05 22:59:08 UTC 2023 , Edited by admin on Wed Jul 05 22:59:08 UTC 2023
PRIMARY
EPA CompTox
DTXSID80229272
Created by admin on Wed Jul 05 22:59:08 UTC 2023 , Edited by admin on Wed Jul 05 22:59:08 UTC 2023
PRIMARY
CAS
787548-03-2
Created by admin on Wed Jul 05 22:59:08 UTC 2023 , Edited by admin on Wed Jul 05 22:59:08 UTC 2023
PRIMARY
RXCUI
1313722
Created by admin on Wed Jul 05 22:59:08 UTC 2023 , Edited by admin on Wed Jul 05 22:59:08 UTC 2023
PRIMARY RxNorm
NCI_THESAURUS
C81575
Created by admin on Wed Jul 05 22:59:08 UTC 2023 , Edited by admin on Wed Jul 05 22:59:08 UTC 2023
PRIMARY
SMS_ID
300000036892
Created by admin on Wed Jul 05 22:59:08 UTC 2023 , Edited by admin on Wed Jul 05 22:59:08 UTC 2023
PRIMARY
FDA UNII
Q6C8TY6SW1
Created by admin on Wed Jul 05 22:59:08 UTC 2023 , Edited by admin on Wed Jul 05 22:59:08 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY