15903-66-9

Basic information

• Product Name: 3-Methylisothiazole-4-carboxylic acid
• Synonyms: 3-Methylisothiazole-4-carboxylic acid;3-Methyl-4-isothiazolecarboxylic acid;3-Methyl-1,2-thiazole-4-carboxylic acid
• CAS NO: 15903-66-9
• Molecular Formula: C₅H₅NO₂S
• Molecular Weight: 143.17
• Product Categories: API intermediates;Stocks
• Mol File: 15903-66-9.mol

Chemical Properties

• Melting Point: 235.5-237.5 °C
• Boiling Point: 182.3 °C at 760 mmHg
• Flash Point: 64.1 °C
• Appearance: /
• Density: 1.418 g/cm³
• Vapor Pressure: 0.529mmHg at 25°C
• Refractive Index: 1.598
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 1.78±0.25(Predicted)
• CAS DataBase Reference: 3-Methylisothiazole-4-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Methylisothiazole-4-carboxylic acid(15903-66-9)
• EPA Substance Registry System: 3-Methylisothiazole-4-carboxylic acid(15903-66-9)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 15903-66-9(Hazardous Substances Data)

Usage

Uses

Used in Cosmetic and Personal Care Products:
3-Methylisothiazole-4-carboxylic acid is used as a preservative for its antimicrobial properties, helping to prevent the growth of microorganisms and extend the shelf life of cosmetic and personal care products.
Used in Pharmaceutical Synthesis:
3-Methylisothiazole-4-carboxylic acid serves as a building block in the synthesis of various pharmaceuticals, contributing to the development of new drugs with potential therapeutic benefits.
Used in Agrochemical Synthesis:
In the agrochemical industry, 3-Methylisothiazole-4-carboxylic acid is utilized as a key component in the production of pesticides and other crop protection agents, enhancing their effectiveness in controlling pests and diseases.
Used in Chemical Research and Development:
3-Methylisothiazole-4-carboxylic acid is employed as a versatile compound in chemical research and development, enabling the exploration of new chemical reactions and the creation of innovative materials and products.

InChI:InChI=1/C5H5NO2S/c1-3-4(5(7)8)2-9-6-3/h2H,1H3,(H,7,8)

Upstream product

• 17265-59-7 3-methyl-isothiazole-4-carbaldehyde 
• 67048-61-7 3-methyl-isothiazole-4,5-dicarboxylic acid 
• 74410-97-2 methyl 3-methylisothiazole-4-carboxylate 
• 1420625-84-8 methyl 3-amino-2-thioformylbut-2-enoate 
• 876191-55-8 ethyl 3-amino-2-methanethioylbut-2-enoate 
• 15901-51-6 3-Methyl-4-isothiazolcarbonsaeureaethylester 
• 92498-49-2 1-(3-methyl-isothiazole-4-carbonyl)-1,2-dihydro-quinoline-2-carbonitrile 
• 49570-33-4 4,5-Bis(carbomethoxy)-3-methyl-1,2-thiazole 
• 58850-81-0 3‐methyl‐1,2‐thiazole‐4‐carbonitrile 

Downstream Products

• 876191-56-9 tert‐butyl N‐(3‐methyl‐1,2‐thiazol‐4‐yl)carbamate 
• 1383546-18-6 5-iodo-3-methylisothiazole-4-carboxylic acid 
• 17265-59-7 3-methyl-isothiazole-4-carbaldehyde 
• 1420830-29-0 pinacol 
• 1420830-30-3 C₁₄H₁₀N₂O₂S 
• 1420626-70-5 C₁₅H₁₅N₃OS 
• 1420830-32-5 C₁₅H₁₃N₅OS 
• 1420830-31-4 C₁₅H₁₄N₂O₂S 
• 1435484-06-2 C₁₆H₁₄N₂O₃S 
• 1420830-27-8 C₁₆H₁₆N₂O₄S 
• 1420830-26-7 C₁₇H₁₈N₂O₃S 
• 1420830-25-6 C₁₃H₁₂N₂OS 
• 1420830-24-5 C₁₁H₉IN₂OS 
• 89179-69-1 3-methyl-isothiazole-4-carboxylic acid hydrazide 

Relevant articles and documents

SULFONYLUREA DERIVATIVES AND USES THEREOF

The present disclosure relates to compounds of Formula (I) and to their prodrugs, pharmaceutically acceptable salts, pharmaceutical compositions, methods of use, and methods for their preparation. The compounds disclosed herein are useful for inhibiting the maturation of cytokines of the IL-1 family by inhibiting inflammasomes and may be used in the treatment of disorders in which inflammasome activity is implicated, such as inflammatory, autoinflammatory and autoimmune diseases and cancers.

HETEROCYCLIC COMPOUNDS AND USES THEREOF

Compounds and pharmaceutical compositions of formulae (I), (XI) and (XII) as PI3 kinase modulators and their use in the treatment of diseases such as cancer.

HETEROCYCLIC COMPOUNDS AND USES THEREOF

Compounds and pharmaceutical compositions that modulate kinase activity, including PI3 kinase activity, and compounds, pharmaceutical compositions, and methods of treatment of diseases and conditions associated with kinase activity, including PI3 kinase activity, are described herein.

HETEROCYCLIC COMPOUNDS AND USES THEREOF

Compounds and pharmaceutical compositions that modulate kinase activity, including PI3 kinase activity, and compounds, pharmaceutical compositions, and methods of treatment of diseases and conditions associated with kinase activity, including PI3 kinase activity, are described herein.

Discovery of (+)-N-(3-aminopropyl)-N-[1-(5-benzyl-3-methyl-4-oxo-[1,2] thiazolo[5,4- d ]pyrimidin-6-yl)-2-methylpropyl]-4-methylbenzamide (AZD4877), a kinesin spindle protein inhibitor and potential anticancer agent

Structure-activity relationship analysis identified (+)-N-(3-aminopropyl)- N-[1-(5-benzyl-3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-6-yl) -2-methylpropyl]-4-methylbenzamide (AZD4877), from a series of novel kinesin spindle protein (KSP) inhibitors, as exhibiting both excellent biochemical potency and pharmaceutical properties suitable for clinical development. The selected compound arrested cells in mitosis leading to the formation of the monopolar spindle phenotype characteristic of KSP inhibition and induction of cellular death. A favorable pharmacokinetic profile and notable in vivo efficacy supported the selection of this compound as a clinical candidate for the treatment of cancer.

Selected fused heterocyclics and uses thereof

This invention relates to novel compounds having the structural formula (I) and to their pharmaceutical compositions and to their methods of use. These novel compounds provide a treatment or prophylaxis of cancer.