3-ISOPROPYLAMINO-1,2-PROPANEDIOL

Details

Stereochemistry	RACEMIC
Molecular Formula	C6H15NO2
Molecular Weight	133.1888
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-ISOPROPYLAMINO-1,2-PROPANEDIOL

Structure Search

SMILES

CC(C)NCC(O)CO

InChI

InChIKey=YKBZGEJJKPNRSI-UHFFFAOYSA-N

InChI=1S/C6H15NO2/c1-5(2)7-3-6(9)4-8/h5-9H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C6H15NO2
Molecular Weight	133.1888
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/2886569
Curator's Comment: Description was created based on several sources, including http://as7531.http.sasm3.net/dbget-bin/www_bget?D01958

3-ISOPROPYLAMINO-1,2-PROPANEDIOL (Indenolol) is an antihypertensive agent, whose beta 1-adrenoceptor antagonist properties combined with beta 2-adrenoceptor agonist properties have been shown by experimental studies in animals. It was used for the treatment of angina pectoris, hypertension, arrhythmias

Originator

Approval Year

Targets

Primary Target	Pharmacology	Potency
ATPase activity 1 Target ID: ATPase activity Sources: https://www.ncbi.nlm.nih.gov/pubmed/1356792	Inhibitor 8297	5.3 mM [IC50]
Beta-1 adrenergic receptor 158 Target ID: CHEMBL213 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2886569	Antagonist 2778
Beta-2 adrenergic receptor 203 Target ID: CHEMBL210 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2886569	Agonist 2678

Conditions

Condition	Modality	Targets	Highest Phase	Product
Hypertension 567 Sources: https://www.ncbi.nlm.nih.gov/pubmed/6337761	Primary		Approved 8429	Indenolol Approved Use Indications: angina pectoris, hypertension, arrhythmias
Arrhythmia 38 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2576192	Primary		Approved 8429	Indenolol Approved Use Indications: angina pectoris, hypertension, arrhythmias

PubMed

Title	Date	PubMed
Synthesis and preliminary biological studies of 4- and 5-[2-hydroxy-3-(isopropylamino)propoxy]benzimidazoles: selective beta2 adrenergic blocking agents.	1979 Feb	34040

Patents

Sample Use Guides

In Vivo Use Guide

120 mg once daily orally

Route of Administration: Oral

In Vitro Use Guide

Inhibitory effective range of 3-ISOPROPYLAMINO-1,2-PROPANEDIOL was 10-5000 uM for Na(+)- and K(+)-activated adenosine triphosphatase in guinea-pig heart preparations

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:29:05 GMT 2023` Edited by `admin` on `Sat Dec 16 08:29:05 GMT 2023`
Record UNII	308N9VZ214
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-ISOPROPYLAMINO-1,2-PROPANEDIOL

Systematic Name

English

METOPROLOL SUCCINATE IMPURITY N [EP IMPURITY]

Common Name

English

(±)-3-ISOPROPYLAMINO-1,2-PROPANEDIOL

Systematic Name

English

1,2-DIHYDROXY-3-ISOPROPYLAMINOPROPANE

Systematic Name

English

METOPROLOL TARTRATE IMPURITY N [EP IMPURITY]

Common Name

English

1,2-PROPANEDIOL, 3-((1-METHYLETHYL)AMINO)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

110857