SOFALCONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H30O6
Molecular Weight	450.5235
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)=CCOC1=CC=C(\C=C\C(=O)C2=CC=C(OCC=C(C)C)C=C2OCC(O)=O)C=C1

InChI

InChIKey=GFWRVVCDTLRWPK-KPKJPENVSA-N

InChI=1S/C27H30O6/c1-19(2)13-15-31-22-8-5-21(6-9-22)7-12-25(28)24-11-10-23(32-16-14-20(3)4)17-26(24)33-18-27(29)30/h5-14,17H,15-16,18H2,1-4H3,(H,29,30)/b12-7+

HIDE SMILES / InChI

Molecular Formula	C27H30O6
Molecular Weight	450.5235
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Description
Sources: https://www.nipro-es-pharma.co.jp/product/di/files/tb/CSEF_tb_016701.html
Curator's Comment: Description was created based on several sources, including: http://www.taisho.co.jp/en/company/release/2004/04_0803-e.htm http://www.drugbank.ca/drugs/DB05197

Sofalcone is a mucosal protective agent that has been reported to inhibit growth of Helicobacter pylori. It is considered safe and effective for the treatment of gastritis and gastric ulcer. It is used in Japan. Adverse reactions are: liver dysfunction, jaundice, rash, constipation, dry mouth, heartburn.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Prostaglandin Synthesis and Regulation 6 Target ID: WP98 Sources: http://www.taisho.co.jp/en/company/release/2004/04_0803-e.htm	Modulator 828

Conditions

Condition	Modality	Targets	Highest Phase	Product
Helicobacter pylori gastritis 3 Sources: https://www.nipro-es-pharma.co.jp/product/di/files/tb/CSEF_tb_016701.html	Primary		Approved 8429	Solon Approved Use It is used for the treatment of gastritis. Launch Date 1984
Peptic ulcer 72 Sources: https://www.nipro-es-pharma.co.jp/product/di/files/tb/CSEF_tb_016701.html	Primary		Approved 8429	Solon Approved Use It is used as peptic ulcer agent. Launch Date 1984

PubMed

Title	Date	PubMed
Combination therapy with clarithromycin and sofalcone for eradication of Helicobacter pylori.	1994 Dec	7735929
Sofalcone, a mucoprotective agent, increases the cure rate of Helicobacter pylori infection when combined with rabeprazole, amoxicillin and clarithromycin.	2005 Mar 21	15786539

Patents

Sample Use Guides

In Vivo Use Guide

Adults take 100 mg of sofalcone 3 times a day.

Route of Administration: Oral

In Vitro Use Guide

MIC50 for Helicobacter pylori is 12.5 ug/ml

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:52:01 GMT 2023` Edited by `admin` on `Fri Dec 15 15:52:01 GMT 2023`
Record UNII	2B668TJX8E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SOFALCONE

Official Name

English

SOFALCONE [MI]

Common Name

English

SOLON

Brand Name

English

SOFALCONE [JAN]

Common Name

English

(5-((3-METHYL-2-BUTENYL)OXY)-2-(P-((3-METHYL-2-BUTENYL)OXY)CINNAMOYL)PHENOXY)ACETIC ACID

Systematic Name

English

sofalcone [INN]

Common Name

English

ACETIC ACID, 2-(5-((3-METHYL-2-BUTEN-1-YL)OXY)-2-((2E)-3-(4-((3-METHYL-2-BUTEN-1-YL)OXY)PHENYL)-1-OXO-2-PROPEN-1-YL)PHENOXY)-

Systematic Name

English

SU-88

Code

English

Sofalcone [WHO-DD]

Common Name

English

SOFALCONE [MART.]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1745