FUREGRELATE SODIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H10NO3.Na.H2O
Molecular Weight	293.2498
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.[Na+].[O-]C(=O)C1=CC2=C(O1)C=CC(CC3=CN=CC=C3)=C2

InChI

InChIKey=UVXKTLQOOXTOML-UHFFFAOYSA-M

InChI=1S/C15H11NO3.Na.H2O/c17-15(18)14-8-12-7-10(3-4-13(12)19-14)6-11-2-1-5-16-9-11;;/h1-5,7-9H,6H2,(H,17,18);;1H2/q;+1;/p-1

HIDE SMILES / InChI

Molecular Formula	HO
Molecular Weight	17.0073
Charge	-1
Count

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

Molecular Formula	C15H11NO3
Molecular Weight	253.2527
Charge	0
Count

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

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/6086857 | https://www.ncbi.nlm.nih.gov/pubmed/2717519

Furegrelate (previously known as U-63557A), a selective orally active thromboxane synthase inhibitor, with potential for the treatment of various diseases including hypertension, thrombosis, and renal disorders, arrhythmias, but these studies were discontinued.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Thromboxane-A synthase 21 Target ID: P24557\|\|\|Q8IUN1\|\|\|Q9HD82 Gene ID: 6916.0 Gene Symbol: TBXAS1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/6685888	Inhibitor 8297

Conditions

Condition	Modality	Highest Phase	Product
Pulmonary arterial hypertension 35 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22837860	Primary	Not Provided 504	Unknown Approved Use Unknown
Arrhythmia 38 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2159727	Primary	Not Provided 504	Unknown Approved Use Unknown
Thrombosis 22 Sources: https://www.ncbi.nlm.nih.gov/pubmed/3183064	Primary	Not Provided 504	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
Inhibition of platelet thromboxane A2 synthase activity by sodium 5-(3'-pyridinylmethyl)benzofuran-2-carboxylate.	1983 Aug	6316421

Sample Use Guides

In Vivo Use Guide

The absorption and disposition of the parent drug in normal male volunteers have been studied after single- and multiple-dose oral administration. The results from the single-dose study indicate that furegrelate is rapidly absorbed, with a Tmax of 1.0-1.7 hr, has an apparent terminal disposition rate constant of 0.12-0.17 hr-1, and is eliminated primarily by the kidney, with 62-78% of the dose excreted as parent drug

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:10:22 GMT 2023` Edited by `admin` on `Fri Dec 15 17:10:22 GMT 2023`
Record UNII	2C22EDW1Z5
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

FUREGRELATE SODIUM

Official Name

English

U-63,557A

Code

English

Sodium 5-(3-pyridylmethyl)-2-benzofurancarboxylate monohydrate

Systematic Name

English

2-BENZOFURANCARBOXYLIC ACID, 5-(3-PYRIDINYLMETHYL)-, SODIUM SALT, MONOHYDRATE

Common Name

English

FUREGRELATE SODIUM [USAN]

Common Name

English

U-63557A

Code

English

2-BENZOFURANCARBOXYLIC ACID, 5-(3-PYRIDINYLMETHYL)-, SODIUM SALT, HYDRATE (1:1:1)

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C471