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2-Methyl-5-(trifluoromethyl)benzothiazole is a chemical compound with the molecular formula C9H6F3NS. It belongs to the benzothiazole derivatives, a class of compounds recognized for their wide range of biological activities. This specific compound is distinguished by its trifluoromethyl group, which is known to enhance the biological activity and metabolic stability of drug candidates. Its aromatic structure and unique substituents contribute to its potential as a building block in the synthesis of various bioactive molecules, making it valuable in both pharmaceutical and agrochemical industries, as well as in the creation of specialized materials and fluorescent dyes.

398-99-2

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398-99-2 Usage

Uses

Used in Pharmaceutical Industry:
2-Methyl-5-(trifluoromethyl)benzothiazole is used as a building block for the synthesis of bioactive molecules due to its ability to enhance the biological activity and metabolic stability of drug candidates. Its trifluoromethyl group is particularly beneficial in medicinal chemistry for improving the potency and selectivity of drugs.
Used in Agrochemical Industry:
In the agrochemical sector, 2-Methyl-5-(trifluoromethyl)benzothiazole serves as a key component in the development of new agrochemicals, leveraging its biological activity to create effective pesticides or other agricultural chemicals.
Used in Synthesis of Specialized Materials:
2-Methyl-5-(trifluoromethyl)benzothiazole is used as a component in the synthesis of specialized materials, capitalizing on its unique chemical structure and properties to create materials with specific characteristics for various applications.
Used in Fluorescent Dyes:
2-METHYL-5-(TRIFLUOROMETHYL)BENZOTHIAZOLE is also utilized in the creation of fluorescent dyes, where its aromatic structure and substituents contribute to the dye's fluorescence properties, making it suitable for applications in bioimaging and other fields requiring fluorescent markers.

Check Digit Verification of cas no

The CAS Registry Mumber 398-99-2 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 3,9 and 8 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 398-99:
(5*3)+(4*9)+(3*8)+(2*9)+(1*9)=102
102 % 10 = 2
So 398-99-2 is a valid CAS Registry Number.
InChI:InChI=1/C15H11FO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11H/b11-6+

398-99-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-methyl-5-(trifluoromethyl)-1,3-benzothiazole

1.2 Other means of identification

Product number -
Other names F0293-0090

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:398-99-2 SDS

398-99-2Relevant articles and documents

Discovery of 3-[(4,5,7-trifluorobenzothiazol-2-yl)methyl]indole-N-acetic acid (lidorestat) and congeners as highly potent and selective inhibitors of aldose reductase for treatment of chronic diabetic complications

Van Zandt, Michael C.,Jones, Michael L.,Gunn, David E.,Geraci, Leo S.,Jones, J. Howard,Sawicki, Diane R.,Sredy, Janet,Jacot, Jorge L.,DiCioccio, A. Thomas,Petrova, Tatiana,Mitschler, Andre,Podjarny, Alberto D.

, p. 3141 - 3152 (2007/10/03)

Recent efforts to identify treatments for chronic diabetic complications have resulted in the discovery of a novel series of highly potent and selective 3-[(benzothiazol-2-yl)methyl]indole-N-alkanoic acid aldose reductase inhibitors. The lead candidate, 3-[(4,5,7-trifluorobenzothiazol-2-yl)methyl]indole-N-acetic acid (lidorestat, 9) inhibits aldose reductase with an IC50 of 5 nM, while being 5400 times less active against aldehyde reductase, a related enzyme involved in the detoxification of reactive aldehydes. It lowers nerve and lens sorbitol levels with ED50's of 1.9 and 4.5 mg/kg/d po, respectively, in the 5-day STZ-induced diabetic rat model. In a 3-month diabetic intervention model (1 month of diabetes followed by 2 months of drug treatment at 5 mg/kg/d po), it normalizes polyols and reduces the motor nerve conduction velocity deficit by 59% relative to diabetic controls. It has a favorable pharmacokinetic profile (F, 82%; t1/2, 5.6 h; Vd, 0.694 L/kg) with good drug penetration in target tissues (Cmax in sciatic nerve and eye are 2.36 and 1.45 μg equiv/g, respectively, when dosed with [14C] lidorestat at 10 mg/kg po).

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