29182-42-1

Basic information

• Product Name: 2-(2-BENZOTHIAZOLYL)ACETIC ACID ETHYL ESTER
• Synonyms: AKOS BBS-00007333;2-BENZOTHIAZOLEACETIC ACID ETHYL ESTER;2-(2-BENZOTHIAZOLYL)ACETIC ACID ETHYL ESTER;ETHYL 1,3-BENZOTHIAZOL-2-YLACETATE;ETHYL 2-BENZOTHIAZOLEACETATE;ETHYL 2-(2-BENZOTHIAZOLYL)ACETATE;2-Benzothiazoleaceticacid,ethylester(8CI,9CI);ETHYL BENZOTHIAZOLYLACETATE
• CAS NO: 29182-42-1
• Molecular Formula: C₁₁H₁₁NO₂S
• Molecular Weight: 221.28
• Product Categories: BENZOTHIAZOLE
• Mol File: 29182-42-1.mol
• Article Data: 22

Chemical Properties

• Boiling Point: 145 °C / 1.5mmHg
• Flash Point: 154 °C
• Appearance: /
• Density: 1.26 g/cm³
• Vapor Pressure: 0.00016mmHg at 25°C
• Refractive Index: 1.613
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 0.72±0.10(Predicted)
• CAS DataBase Reference: 2-(2-BENZOTHIAZOLYL)ACETIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(2-BENZOTHIAZOLYL)ACETIC ACID ETHYL ESTER(29182-42-1)
• EPA Substance Registry System: 2-(2-BENZOTHIAZOLYL)ACETIC ACID ETHYL ESTER(29182-42-1)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 29182-42-1(Hazardous Substances Data)

Usage

Description

2-(2-Benzothiazolyl)acetic Acid Ethyl Ester, also known as Ethyl 2-(benzo[d]thiazol-2-yl)acetate, is a chemical compound that exists as a yellow oil or crystalline substance. It is a useful research chemical with potential applications in various fields.

Uses

Used in Research and Development:
2-(2-Benzothiazolyl)acetic Acid Ethyl Ester is used as a research chemical for the development and study of new compounds and materials. Its unique chemical properties make it a valuable tool in the field of chemical research.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2-(2-Benzothiazolyl)acetic Acid Ethyl Ester may be used as a starting material or intermediate in the synthesis of various drugs and medications. Its specific application would depend on the target drug's requirements and the desired therapeutic effects.
Used in Chemical Synthesis:
2-(2-Benzothiazolyl)acetic Acid Ethyl Ester can be used as a reagent in chemical synthesis processes, particularly in the production of benzothiazole-based compounds. These compounds have a wide range of applications, including use as dyes, pigments, and additives in various industries.
Used in Material Science:
In material science, 2-(2-Benzothiazolyl)acetic Acid Ethyl Ester may be employed in the development of new materials with specific properties, such as improved stability, enhanced reactivity, or unique optical characteristics. Its use in this field would depend on the desired outcome and the specific application of the material.
Please note that the provided materials do not specify any particular use for 2-(2-Benzothiazolyl)acetic Acid Ethyl Ester, so the applications listed above are based on general knowledge of similar compounds and their potential uses in various industries.

InChI:InChI=1/C11H11NO2S/c1-2-14-11(13)7-10-12-8-5-3-4-6-9(8)15-10/h3-6H,2,7H2,1H3

Upstream product

• 2318-25-4 ethyl 3-ethoxy-3-iminopropanoate hydrochloride 
• 137-07-5 2-amino-benzenethiol 
• 880883-60-3 N-(2-bromo-phenyl)malonamic acid ethyl ester 
• 56278-50-3 2-cyanomethylbenzothiazole 
• 64-17-5 ethanol 
• 105-56-6 ethyl 2-cyanoacetate 
• 36239-09-5 ethyl chlorocarbonylacetate 
• 105-53-3 diethyl malonate 

Downstream Products

• 128033-41-0 6-(2-aminophenyl-1-thio)-9H-(2-tetrahydropyranyl)purine 
• 128033-40-9 (E)-2-Benzothiazol-2-yl-1-ethoxy-2-[9-(tetrahydro-pyran-2-yl)-9H-purin-6-yl]-ethenol 
• 117840-87-6 3-Phenyl-4-thioxo-4H-9-thia-4a-aza-fluorene-1-carboxylic acid ethyl ester 
• 117840-89-8 Benzothiazol-2-yl-[4-phenyl-[1,2]dithiol-(3E)-ylidene]-acetic acid methyl ester 
• 117840-88-7 Benzothiazol-2-yl-[4-phenyl-[1,2]dithiol-(3Z)-ylidene]-acetic acid methyl ester 
• 79009-23-7 3-(2-benzothiazolyl)-7-(N-phenylsulfonyl)aminocoumarin 
• 103897-16-1 2-benzamido-4-ethoxycarbonyl-1-oxopyrido<2,1-b>benzothiazole 
• 175440-94-5 2-(benzothiazol-2-yl)acetohydrazide 
• 51542-41-7 2-(1,3-benzothiazol-2-yl)ethanamide 
• 100880-39-5 2-(benzo[d]thiazol-2-yl)-N-phenylacetamide 
• 245072-50-8 3-benzothiazol-2-yl-6-methoxycoumarin 

Relevant articles and documents

Design and synthesis of the first generation of novel potent, selective, and in vivo active (benzothiazol-2-yl)acetonitrile inhibitors of the c-Jun N-terminal kinase

Several lines of evidence support the hypothesis that c-Jun N-terminal kinase (JNKs) plays a critical role in a wide range of diseases including cell death (apoptosis)-related disorders (neurodegenerative diseases, brain, heart, and renal ischemia, epilepsy) and inflammatory disorders (multiple sclerosis, rheumatoid arthritis, inflammatory bowel diseases). Screening of our internal compound collection for inhibitors of JNK3 led to the identification of (benzothiazol-2-yl)acetonitrile derivatives as potent and selective JNK1, -2, -3 inhibitors. Starting from initial hit 1 (AS007149), the chemistry and initial structure-activity relationship (SAR) of this novel and unique kinase inhibitor template were explored. Investigation of the SAR rapidly revealed that the benzothiazol-2-ylacetonitrile pyrimidine core was crucial to retain a good level of potency on rat JNK3. Therefore, compound 6 was further optimized by exploring a number of distal combinations in place of the chlorine atom. This led to the observation that the presence of an aromatic group, two carbons away from the aminopyrimidine moiety and bearing substituents conferring hydrogen bond acceptor (HBA) properties, could improve the potency. Further improvements to the biological and biopharmaceutical profile of the most promising compounds were performed, resulting in the discovery of compound 59 (AS601245). The in vitro and in vivo anti-inflammatory potential of this new JNK inhibitor was investigated and found to demonstrate efficacy per oral route in an experimental model of rheumatoid arthritis (RA).

Substituted amide phenol compound and its preparation method, pharmaceutical composition and use thereof

The invention discloses substituted-amide phenolic compounds, their preparation method, a pharmaceutical composition and an application thereof. The compounds have a structure as shown in the general formula I, wherein Z, L and Q are as defined in the spe

Compounds for treating spinal muscular atrophy

Provided herein are compounds, compositions thereof and uses therewith for treating spinal muscular atrophy. In a specific embodiment, provided herein are compounds of a form that may be used to modulate the inclusion of exon 7 of SMN2 into mRNA that is transcribed from the SMN2 gene. In another specific embodiment, provided herein are compounds of a form that may be used to modulate the inclusion of exon 7 of SMN1 into mRNA that is transcribed from the SMN1 gene. In yet another embodiment, provided herein are compounds of a form that may be used to modulate the inclusion of exon 7 of SMN1 and SMN2 into mRNA that is transcribed from the SMN1 and SMN2 genes, respectively.