TEMOCAPRIL HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H28N2O5S2.ClH
Molecular Weight	513.07
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]2CS[C@@H](CN(CC(O)=O)C2=O)C3=CC=CS3

InChI

InChIKey=XDDQNOKKZKHBIX-ASBZXGSUSA-N

InChI=1S/C23H28N2O5S2.ClH/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27;/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27);1H/t17-,18-,20-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C23H28N2O5S2
Molecular Weight	476.609
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
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/2851680
Curator's Comment: description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/11686312 | https://www.ncbi.nlm.nih.gov/pubmed/19932971 | https://www.drugs.com/international/acecol.html

Temocapril is a prodrug-type angiotensin-I converting enzyme (ACE) inhibitor not approved for use in the United States but is approved in Japan and South Korea. Temocapril can also be used in hemodialysis patients without risk of serious accumulation.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Angiotensin-converting enzyme 97 Target ID: CHEMBL1808 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2851680	Inhibitor 8297		3.6 nM [IC50]
Angiotensin-converting enzyme 97 Target ID: CHEMBL1808 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2851680	Inhibitor 8297		3.6 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Hypertension 567 Sources: https://www.pmda.go.jp/files/000153405.pdf	Primary		Approved 8429	Acecol Approved Use Unknown

PubMed

Title	Date	PubMed

Patents

Sample Use Guides

In Vivo Use Guide

A tablet containing 2 mg of temocapril hydrochloride was administered once a day in the morning, and the monitoring term was for 16 weeks.

Route of Administration: Oral

In Vitro Use Guide

A force of 1.0 g was applied, and the strips were allowed to equilibrate for 90 min. Aortic strips were exposed to 30 nM of angiotensin I (AI), which produced contractions approximately equal to 90% of the maximum response. After three successive contractions of equal size had been obtained, test drugs (CS-622 diacid) was added to the bath. Contractile responses to AI in the presence of a test drug were compared with control responses before the drug was added. The concentration of the drug was increased in a cumulative manner by a ratio of 3 at a 10 min interval to construct a concentration inhibition curve. The IC50 value was determined as the concentration inhibiting by 50% the response to AI

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:38:27 UTC 2023` Edited by `admin` on `Fri Dec 15 15:38:27 UTC 2023`
Record UNII	8G820I95VP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TEMOCAPRIL HYDROCHLORIDE

Official Name

English

ACECOL

Brand Name

English

TEMOCAPRIL HYDROCHLORIDE [JAN]

Common Name

English

CS-622

Code

English

1,4-THIAZEPINE-4(5H)-ACETIC ACID, 6-(((1S)-1-(ETHOXYCARBONYL)-3-PHENYLPROPYL)AMINO)TETRAHYDRO-5-OXO-2-(2-THIENYL)-, HYDROCHLORIDE (1:1), (2S,6R)-

Common Name

English

Temocapril hydrochloride [WHO-DD]

Common Name

English

TEMOCAPRIL HYDROCHLORIDE [MART.]

Common Name

English

TEMOCAPRIL HYDROCHLORIDE [MI]

Common Name

English

TEMOCAPRIL HYDROCHLORIDE [USAN]

Common Name

English

TEMOCAPRIL HCL

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C247