S-ETHYLISOTHIOUREA

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C3H8N2S
Molecular Weight	104.174
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCSC(N)=N

InChI

InChIKey=VFIZBHJTOHUOEK-UHFFFAOYSA-N

InChI=1S/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)

HIDE SMILES / InChI

Molecular Formula	C3H8N2S
Molecular Weight	104.174
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: http://new.trioxbio.com/ | https://www.ncbi.nlm.nih.gov/pubmed/22144183

TrioxBio's API, S-ethylisothiouronium diethylphosphate, MTR-104 (MTR- 105), is a nitric oxide synthase (NOS) inhibitor which blocks the production of nitric oxide, preventing the dilation of blood vessels and the other detrimental effects caused by excessive NOS activity. MTR-105, a fast-acting synthetic NOS inhibitor with rapid onset of action when administered parenterally, has been effective in alleviating hypotension experimentally and in several observational studies while reducing NO production. MTR-105 is registered and approved for clinical use in the Republic of Moldova where data have been collected from 434 patients exposed to the drug in pre- and postapproval clinical investigations.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Potency
Nitric oxide synthase, inducible 50 Target ID: CHEMBL4481 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7523409 \| https://www.ncbi.nlm.nih.gov/pubmed/19819972 \| https://www.ncbi.nlm.nih.gov/pubmed/10074942	Inhibitor 8297	17.0 nM [Ki]
Nitric-oxide synthase, endothelial 19 Target ID: CHEMBL4803 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7523409 \| https://www.ncbi.nlm.nih.gov/pubmed/10074942	Inhibitor 8297	36.0 nM [Ki]
Nitric-oxide synthase, brain 24 Target ID: CHEMBL3568 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7523409	Inhibitor 8297	29.0 nM [Ki]

PubMed

Title	Date	PubMed
Contribution of nitric oxide produced by inducible nitric oxide synthase to vascular responses of mesenteric arterioles in streptozotocin-diabetic rats.	2004 Jan	14707030
Nitric Oxide does not mediate Atrogin-1/MAFbx upregulation by inflammatory mediators.	2008	21614134
Specificity and selectivity profile of EP217609: a new neutralizable dual-action anticoagulant that targets thrombin and factor Xa.	2012 Mar 8	22144183
Depletion of circulating blood NOS3 increases severity of myocardial infarction and left ventricular dysfunction.	2014 Jan	24346018

Patents

Sample Use Guides

In Vivo Use Guide

Thirty-six patients with an ejection fraction >50% undergoing open-heart surgery were randomly assigned to either 50 ug kg(-1) min(-1) MTR-105 (M50, n = 12), 10 ug kg(-1) min(-1) MTR-105 (M10, n = 12) or buffered phosphate solution (placebo control, n = 12). Intravenous MTR-105 was administered continuously starting at aortic cross-clamp removal and ending 6 h later. MTR-105 doses were associated with an immediate increase in systemic blood pressure (16%) and systemic vascular resistance and a decrease in cardiac index.

Route of Administration: Intravenous

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:33:14 GMT 2023` Edited by `admin` on `Sat Dec 16 11:33:14 GMT 2023`
Record UNII	236P47H4VR
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

S-ETHYLISOTHIOUREA

Systematic Name

English

2-ETHYL-2-THIOPSEUDOUREA

Systematic Name

English

CARBAMIMIDOTHIOIC ACID, ETHYL ESTER

Systematic Name

English

S-ETHYLISOTHIOURONIUM

Common Name

English

ETHYRON

Common Name

English

Code System Code Type Description

DRUG BANK

DB02234