MECARBINATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H15NO3
Molecular Weight	233.2631
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC(=O)C1=C(C)N(C)C2=C1C=C(O)C=C2

InChI

InChIKey=YTBNTDMBGXAOCG-UHFFFAOYSA-N

InChI=1S/C13H15NO3/c1-4-17-13(16)12-8(2)14(3)11-6-5-9(15)7-10(11)12/h5-7,15H,4H2,1-3H3

HIDE SMILES / InChI

Description
Sources: http://www.selleckchem.com/datasheet/mecarbinate-Datasheet.html | https://www.ncbi.nlm.nih.gov/pubmed/5604597

Mecarbinate is a chemical intermediate of arbidol hydrochloride. Dimecarbin is used in the treatment of hypertension in Russia.

Originator

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Hypertension 575 Sources: https://www.ncbi.nlm.nih.gov/pubmed/5604597 https://www.ncbi.nlm.nih.gov/pubmed/5621782	Primary		Approved 8583	Dimecarbinum Approved Use Hypertension

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
inducer 1087 inhibitor 2252	inhibitor 2438	inhibitor 2507	inhibitor 2217

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
CYP1A2 2153 CYP19A1 429 CYP2C19 2057	P-gp 2052

Drug as perpetrator

Target	Modality	Activity
CYP2C9 2497	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/616236#section=Biological-Test-Results Page: 6.0	inconclusive [IC50 12.3018 uM]
CYP2D6 2546	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/616236#section=Biological-Test-Results Page: 6.0	inconclusive [IC50 15.4871 uM]
CYP19A1 430	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/616236#section=Biological-Test-Results Page: 51.0	no
CYP3A4 2633	inducer 1966 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/616236#section=Biological-Test-Results Page: 98.0	no
CYP1A2 2333	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/616236#section=Biological-Test-Results Page: 2.0	yes [IC50 0.5122 uM]
CYP3A4 2633	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/616236#section=Biological-Test-Results Page: 3.0	yes [IC50 5.495 uM]
CYP2C19 2141	inhibitor 4027 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/616236#section=Biological-Test-Results Page: 4.0	yes [IC50 7.7619 uM]

Drug as victim

Target	Modality	Activity	Metabolite	Clinical evidence
P-gp 2052	substrate 4014 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/616236#section=Biological-Test-Results Page: 87 \| 88	no

Tox targets

Target	Modality	Activity	Metabolite	Clinical evidence
hERG 2263	inhibitor 2237 Sources: https://pubchem.ncbi.nlm.nih.gov/compound/616236#section=Biological-Test-Results Page: 121.0

PubMed

Title	Date	PubMed
[Quantitative determination of dimecarbin in preparation and in tablets].	1977-05-01	881023
[A simple experiment planning for the selection of the optimal conditions for the differential spectrophotometric determination of dimecarbin].	1976	1269782
[Efficacity of the use of dimecarbin in hypertension].	1969-09	5366757
[Clinical trial of the hypotensive drug dimecarbin in the treatment of patients with hypertensive disease].	1968-08	5741756
[Clinical use of the Soviet preparation dimecarbin in patients with hypertensive disease].	1967	5621782

Patents

Sample Use Guides

In Vivo Use Guide

Treatment of hypertension: 0,01–0,02 g 3–4 times a day during 20-30 days

Route of Administration: Oral

In Vitro Use Guide

Unknown

Name

Type

Language

MECARBINATE

Official Name

English

mecarbinate [INN]

Preferred Name

English

ETHYL 5-HYDROXY-1,2-DIMETHYLINDOLE-3-CARBOXYLATE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C270