CIPROKIREN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H55N5O8S
Molecular Weight	729.926
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)(C(=O)N1CCOCC1)S(=O)(=O)C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CNC=N3)C(=O)N[C@@H](CC4CCCCC4)[C@@H](O)[C@@H](O)C5CC5

InChI

InChIKey=PODHJNNUGIBMOP-HOQQKOLYSA-N

InChI=1S/C37H55N5O8S/c1-37(2,36(47)42-15-17-50-18-16-42)51(48,49)23-28(19-25-9-5-3-6-10-25)34(45)41-31(21-29-22-38-24-39-29)35(46)40-30(20-26-11-7-4-8-12-26)33(44)32(43)27-13-14-27/h3,5-6,9-10,22,24,26-28,30-33,43-44H,4,7-8,11-21,23H2,1-2H3,(H,38,39)(H,40,46)(H,41,45)/t28-,30+,31+,32+,33-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C37H55N5O8S
Molecular Weight	729.926
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/8039839 | https://adisinsight.springer.com/drugs/800005529

Ciprokinen is a renin inhibitor discovered by Roche. Ciprokinen inhibited human renin in a buffer and human plasma with an IC50 of 0.07 and 0.65 nmol/L, respectively. In animal models, acute and chronic administration of ciprokinen lead to a reduction in arterial blood pressure. Development of ciprokinen was discontinued at a preclinical stage.

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:04:26 GMT 2023` Edited by `admin` on `Sat Dec 16 16:04:26 GMT 2023`
Record UNII	K259Z4O1B3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CIPROKIREN

Official Name

English

ciprokiren [INN]

Common Name

English

(.ALPHA.S)-N-((1S,2R,3S)-1-(CYCLOHEXYLMETHYL)-3-CYCLOPROPYL-2,3-DIHYDROXYPROPYL)-.ALPHA.-((.ALPHA.S)-.ALPHA.-(((1-METHYL-1-(MORPHOLINOCARBONYL)ETHYL)SULFONYL)METHYL)HYDROCINNAMAMIDO)IMIDAZOLE-4-PROPIONAMIDE

Common Name

English

RO 44-9375

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C270