ISOTHIAZOLE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C3H3NS
Molecular Weight	85.128
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

S1C=CC=N1

InChI

InChIKey=ZLTPDFXIESTBQG-UHFFFAOYSA-N

InChI=1S/C3H3NS/c1-2-4-5-3-1/h1-3H

HIDE SMILES / InChI

Molecular Formula	C3H3NS
Molecular Weight	85.128
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Isothiazole dioxides: synthesis and inhibition of Trypanosoma brucei protein farnesyltransferase.	2002 Aug 19	12127541
[Biological activity of the isothiazole derivatives].	2003	15002160
Regiospecific Suzuki coupling of 3,5-dichloroisothiazole-4-carbonitrile.	2003 Aug 21	12968340
Pharmacological characterization of CP-547,632, a novel vascular endothelial growth factor receptor-2 tyrosine kinase inhibitor for cancer therapy.	2003 Nov 1	14612527
Ibotenic acid and thioibotenic acid: a remarkable difference in activity at group III metabotropic glutamate receptors.	2004 Feb 23	14985045
New isothiazole derivatives: synthesis, reactivity, physicochemical properties and pharmacological activity.	2006 Jul	16838283
Discovery of novel isothiazole inhibitors of the TrkA kinase: structure-activity relationship, computer modeling, optimization, and identification of highly potent antagonists.	2006 Jul 1	16632359
New regiospecific isothiazole C-C coupling chemistry.	2006 Oct 7	16990945
Isothiazole derivatives as antiviral agents.	2007	18046960
Synthesis and pharmacology of glutamate receptor ligands: new isothiazole analogues of ibotenic acid.	2007 Feb 7	17340770
New derivatives of 5-amino-3-methyl-4-isothiazolecarboxylic acid and their immunological activity.	2007 May-Jun	17695146
Efficient synthesis and utilization of phenyl-substituted heteroaromatic carboxylic acids as aryl diketo acid isosteres in the design of novel HIV-1 integrase inhibitors.	2008 Aug 15	18662877
New amides of 5-(4-chlorobenzoyl)aminoorotic acid: their synthesis and biological activity.	2008 Nov	18816435
Synthesis and pharmacological evaluation of thiazole and isothiazole derived apomorphines.	2009 Oct	19714675
Synthesis of novel vanillin derivatives containing isothiazole moieties and its synergistic effect in mixtures with insecticides.	2009 Sep	19831030
Synthesis and immunomodulatory activites of new 5-hydrazino-3-methyl-4-isothiazolecarboxylic acid ethyl esters.	2009 Sep-Oct	19894646
Ligand-exchange processes on solvated zinc cations: water exchange on [Zn(H2O)4(L)]2+.2H2O (L=heterocyclic ligand).	2010 Jun 25	20468026
Novel derivatives of 1,3,4-oxadiazoles are potent mitostatic agents featuring strong microtubule depolymerizing activity in the sea urchin embryo and cell culture assays.	2010 May	20110137
In silico exploration for identifying structure-activity relationship of MEK inhibition and oral bioavailability for isothiazole derivatives.	2010 Nov	20925691
Bioactivation of isothiazoles: minimizing the risk of potential toxicity in drug discovery.	2010 Nov 15	20825217

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:37:15 GMT 2023` Edited by `admin` on `Fri Dec 15 19:37:15 GMT 2023`
Record UNII	38FAO14250
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOTHIAZOLE

Systematic Name

English

Code System Code Type Description

CAS

288-16-4