TIBENELAST SODIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H13O4S.Na
Molecular Weight	288.295
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CCOC1=CC2=C(C=C(S2)C([O-])=O)C=C1OCC

InChI

InChIKey=ILEWAUWOUIHKID-UHFFFAOYSA-M

InChI=1S/C13H14O4S.Na/c1-3-16-9-5-8-6-12(13(14)15)18-11(8)7-10(9)17-4-2;/h5-7H,3-4H2,1-2H3,(H,14,15);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C13H13O4S
Molecular Weight	265.305
Charge	-1
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/2229256 | https://www.ncbi.nlm.nih.gov/pubmed/2173601 | https://www.ncbi.nlm.nih.gov/pubmed/8382824

Tibenelast is an orally active phosphodiesterase inhibitor that was undergoing phase II clinical trials in the USA as a bronchodilator. In preclinical studies Tibenelast is moderately active against the lung and stomach enzyme while being a very weak inhibitor of the heart enzyme and it does not inhibit enzymes involved in arachidonic acid metabolism. Tibenelast shows potent anti-anaphylactic activity in guinea pigs without cardiovascular effects at the bronchodilatory doses.

Originator

Approval Year

PubMed

Title	Date	PubMed
Cardiovascular effect and stimulus-dependent inhibition of superoxide generation from human neutrophils by tibenelast, 5,6-diethoxybenzo(b)thiophene-2-carboxylic acid, sodium salt (LY186655).	1990 Nov 1	2173601

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:28:55 GMT 2023` Edited by `admin` on `Fri Dec 15 15:28:55 GMT 2023`
Record UNII	V58CN2SY21
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TIBENELAST SODIUM

Official Name

English

LY 186655

Code

English

LY-186655

Code

English

TIBENELAST SODIUM [USAN]

Common Name

English

BENZO(B)THIOPHENE-2-CARBOXYLIC ACID, 5,6-DIETHOXY-, SODIUM SALT (1:1)

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C319