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Details

Stereochemistry ACHIRAL
Molecular Formula C12H9N2O3S.Na
Molecular Weight 284.266
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of TIACRILAST SODIUM ANHYDROUS

SMILES

[Na+].CSC1=CC2=C(C=C1)N=CN(\C=C\C([O-])=O)C2=O

InChI

InChIKey=MVLGDRIPQBDGOO-FXRZFVDSSA-M
InChI=1S/C12H10N2O3S.Na/c1-18-8-2-3-10-9(6-8)12(17)14(7-13-10)5-4-11(15)16;/h2-7H,1H3,(H,15,16);/q;+1/p-1/b5-4+;

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 C12H9N2O3S
Molecular Weight 261.276
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Tiacrilast (also known as Ro 22-3747) is a quinazolinyl-propenoic acid derivative patented by Hoffmann-La Roche, Inc. as an antihypertensive useful for anaphylaxis management. Tiacrilast acts as a potent mast cell degranulation inhibitor in vitro and inhibits of antigen-induced histamine release from passively sensitized rat peritoneal cells in vitro. In preclinical models, Tiacrilast shows marked activity in rat passive cutaneous anaphylaxis assay, rat anaphylactic bronchospasm assay. In vitro studies have confirmed that the mechanism of action of Tiacrilast in the in vivo models is through allergic mediator release inhibition. Clinical evaluations of Tiacrilast in patients with ragweed sensitive allergic asthma, Tiacrilast demonstrates significant inhibitory activity relative to placebo in reducing acute airway responses to inhaled pollen extracts

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents

Patents

Sample Use Guides

350mg/day
Route of Administration: Oral
Substance Class Chemical
Created
by admin
on Sat Dec 16 00:24:20 GMT 2023
Edited
by admin
on Sat Dec 16 00:24:20 GMT 2023
Record UNII
3FU10ZK1QN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TIACRILAST SODIUM ANHYDROUS
Common Name English
2-PROPENOIC ACID, 3-(6-(METHYLTHIO)-4-OXO-3(4H)-QUINAZOLINYL)-, SODIUM SALT (1:1), (2E)-
Common Name English
Code System Code Type Description
CAS
875338-33-3
Created by admin on Sat Dec 16 00:24:20 GMT 2023 , Edited by admin on Sat Dec 16 00:24:20 GMT 2023
PRIMARY
PUBCHEM
23665632
Created by admin on Sat Dec 16 00:24:20 GMT 2023 , Edited by admin on Sat Dec 16 00:24:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID50236377
Created by admin on Sat Dec 16 00:24:20 GMT 2023 , Edited by admin on Sat Dec 16 00:24:20 GMT 2023
PRIMARY
FDA UNII
3FU10ZK1QN
Created by admin on Sat Dec 16 00:24:20 GMT 2023 , Edited by admin on Sat Dec 16 00:24:20 GMT 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
Related Record Type Details
ACTIVE MOIETY