PELRINONE HYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H11N5O.ClH
Molecular Weight	277.71
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CC1=NC(=O)C(C#N)=C(NCC2=CN=CC=C2)N1

InChI

InChIKey=AVVVYDOYYJBULZ-UHFFFAOYSA-N

InChI=1S/C12H11N5O.ClH/c1-8-16-11(10(5-13)12(18)17-8)15-7-9-3-2-4-14-6-9;/h2-4,6H,7H2,1H3,(H2,15,16,17,18);1H

HIDE SMILES / InChI

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

Molecular Formula	C12H11N5O
Molecular Weight	241.2486
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/1725888 | https://adisinsight.springer.com/drugs/800000272

Pelrinone, a cardiotonic drug, is a phosphodiesterase III inhibitor that was studied in clinical trials phase II for the treatment of patients with heart failure.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Phosphodiesterase 3 60 Target ID: CHEMBL2094125 Sources: https://www.ncbi.nlm.nih.gov/pubmed/3039132 \| https://www.ncbi.nlm.nih.gov/pubmed/2832602	Inhibitor 8297		4.0 µM [IC50]

PubMed

Title	Date	PubMed
Chemistry and positive inotropic effect of pelrinone and related derivatives. A novel class of 2-methylpyrimidones as inotropic agents.	1988 Apr	2832602
Preformulation study of pelrinone hydrochloride.	1988 Nov	3225750
Metabolic disposition and pharmacokinetics of pelrinone, a new cardiotonic drug, in laboratory animals and man.	1990 Jan-Mar	2384116

Sample Use Guides

In Vivo Use Guide

In human subjects given escalating oral or i.v. doses of pelrinone, the elimination t1/2 was independent of dose and averaged 1-2 h.

Route of Administration: Other

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:17:42 GMT 2023` Edited by `admin` on `Fri Dec 15 15:17:42 GMT 2023`
Record UNII	51K948JB05
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PELRINONE HYDROCHLORIDE

Official Name

English

5-PYRIMIDINECARBONITRILE, 1,4-DIHYDRO-2-METHYL-4-OXO-6-((3-PYRIDINYLMETHYL)AMINO)-, MONOHYDROCHLORIDE

Common Name

English

PELRINONE HCL

Common Name

English

AY-28,768

Code

English

PELRINONE HYDROCHLORIDE [USAN]

Common Name

English

AY-28768

Code

English

1,4-Dihydro-2-methyl-4-oxo-6-[(3-pyridylmethyl)amino]-5-pyrimidinecarbonitrile monohydrochloride

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C744