321309-33-5

Basic information

• Product Name: 5-METHYL-3-ISOXAZOLYL ISOTHIOCYANATE
• Synonyms: 5-METHYL-3-ISOXAZOLYL ISOTHIOCYANATE;Isoxazole, 3-isothiocyanato-5-methyl- (9CI);3-isothiocyanato-5-methyl-1,2-oxazole
• CAS NO: 321309-33-5
• Molecular Formula: C₅H₄N₂OS
• Molecular Weight: 140.16
• Product Categories: ISOTHIOCYANATE
• Mol File: 321309-33-5.mol

Chemical Properties

• Boiling Point: 284.5°Cat760mmHg
• Flash Point: 125.9°C
• Appearance: /
• Density: 1.29g/cm³
• Vapor Pressure: 0.00508mmHg at 25°C
• Refractive Index: 1.614
• CAS DataBase Reference: 5-METHYL-3-ISOXAZOLYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-METHYL-3-ISOXAZOLYL ISOTHIOCYANATE(321309-33-5)
• EPA Substance Registry System: 5-METHYL-3-ISOXAZOLYL ISOTHIOCYANATE(321309-33-5)

Safety Data

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 2811
• Hazardous Substances Data: 321309-33-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Research and Development:
5-METHYL-3-ISOXAZOLYL ISOTHIOCYANATE is utilized as a key intermediate in the synthesis of new drugs and bioactive molecules. Its distinctive chemical structure contributes to the development of innovative therapeutic agents with potential applications in various medical fields.
Used in Organic Synthesis:
In the realm of organic chemistry, 5-METHYL-3-ISOXAZOLYL ISOTHIOCYANATE serves as a reagent in chemical reactions, enabling the production of a wide array of organic compounds. Its versatility in synthesis processes is instrumental in creating complex organic molecules for various applications.
Used in Chemical Reactions as a Reagent:
5-METHYL-3-ISOXAZOLYL ISOTHIOCYANATE is employed as a reagent in various chemical reactions, facilitating the formation of diverse organic compounds. Its role in these reactions is crucial for the synthesis of target molecules with specific properties and functions.
Used in the Synthesis of Bioactive Molecules:
5-METHYL-3-ISOXAZOLYL ISOTHIOCYANATE is leveraged in the creation of bioactive molecules, which are essential in the study of biological processes and the development of new pharmaceuticals. Its unique properties allow for the design of molecules with enhanced biological activity and selectivity.
Used in the Development of New Drug Candidates:
Due to its potential applications in drug discovery, 5-METHYL-3-ISOXAZOLYL ISOTHIOCYANATE is used in the development of new drug candidates. Its incorporation into drug molecules can lead to the discovery of novel therapeutic agents with improved efficacy and safety profiles.

InChI:InChI=1/C5H4N2OS/c1-4-2-5(6-3-9)7-8-4/h2H,1H3

Upstream product

• 1072-67-9 5-methylisoxazol-3-ylamine 
• 463-71-8 thiophosgene 
• 1105025-90-8 C₁₀H₈N₄O₂S₂ 

Downstream Products

• 443111-52-2 C₁₂H₁₂ClN₃OS 
• 1275515-29-1 1-[5-(2-methyl-3-chlorophenylamino)-1,2,4-thiadiazol-3-yl]propan-2-ol 
• 1245618-40-9 1-[(5-phenylamino)-1,2,4-thiadiazol-3-yl]propan-2-ol 
• 64822-00-0 1-(5-anilino-[1,2,4]thiadiazol-3-yl)-propan-2-one 
• 443110-95-0 C₁₂H₁₃N₃OS 
• 1275515-23-5 1-[5-(3-methylphenylamino)-1,2,4-thiadiazol-3-yl]-propan-2-ol 
• 726160-27-6 N-(3,4-dichlorophenyl)-[3-(2-oxopropyl)[1,2,4]-thiadiazol-5-yl]amine 
• 1275515-22-4 N-(3,4-dichlorophenyl)-[3-(2-hydroxypropyl)[1,2,4]-thiadiazol-5-yl]amine 
• 1329497-49-5 1-[5-(4-fluorophenylamino)-1,2,4-thiadiazol-3-yl]-propan-2-ol 
• 1275515-28-0 1-[5-(2-chloro-5-trifluoromethylphenylamino)-1,2,4-thiadiazol-3-yl]propan-2-ol 
• 1361124-43-7 1-[5-(4-methoxyphenylamino)-1,2,4-thiadiazol-3-yl]-propan-2-ol 
• 1361124-44-8 1-[5-(2-chlorophenylamino)-1,2,4-thiadiazol-3-yl]-propan-2-ol 
• 1361124-45-9 1-[5-(2-fluorophenylamino)-1,2,4-thiadiazol-3-yl]-propan-2-ol 
• 1361124-46-0 1-[5-(3-methylthiophenylamino)-1,2,4-thiadiazol-3-yl]-propan-2-ol 

Relevant articles and documents

Deacetylcolchicine deriv.

Provided are 4-modified colchicine compounds and medicines using the same. Specifically provided are colchicine derivatives represented by general formula (1), salts thereof, and solvates of the same. In general formula (1), R1 is a halogen atom, a hydroxyl group, a nitro group, an amino group, or a mono-, di- or tri-fluoromethyl group; R2, R3 and R4 are each a methoxy group or a hydroxyl group, or alternatively R2 and R3, or R3 and R4 together represent a methylenedioxy group; R5 and R6 may be the same or different and are each a hydrogen atom, a C1-6 alkyl group, an arylalkyl group, a C2-6 alkenyl group, -COR7, -COOR8, -SO2R9, -CONR10R11, or -CSNR12R13, or alternatively R5 and R6 together with the nitrogen atom to which R5 and R6 are bonded may form a three- to seven-membered cyclic amino group; R7 is a C1-6 alkyl group or the like; R8 is a C1-6 alkyl group or the like; R9 is a C1-6 alkyl group or the like; R10 and R11 may be the same or different and are each a hydrogen atom, a C1-6 alkyl group, or the like; and R12 and R13 may be the same or different and are each a hydrogen atom, an alkyl group, or the like.

4-Chlorocolchicine derivatives bearing a thiourea side chain at the C-7 position as potent anticancer agents

A series of 4-substituted colchicine derivatives were synthesized and evaluated with an eye toward developing new anticancer agents. As a result, 4-chlorocolchicine derivatives bearing a thioureide side chain at the C-7 position were found to exhibit significant cytotoxicities to three human cancer cell lines (A549, HT-29, and HCT116). In particular, compound 26 having an ethylthioureide group at the C-7 had high antitumor activity in vivo and a broad effective dosage range. Furthermore, compound 58, which has a (5-methylpyrazol-3-yl)thioureide group at the C-7 side chain, exhibited strong cytotoxicity and desirable metabolic stability in vitro.

5-AMINO-1,2,4-THIADIAZOLE DERIVATIVES

The present invention relates in general to the field of organic chemistry and, in particular, to novel biologically active compounds of 5-amino[1,2,4]thiadiazole derivatives of the general formula: wherein X is ONO2 or NHR3; R1, R2, and R3 may be the same or different and independently represent hydrogen, alkyl, aryl, aralkyl, heteroaryl, heteroaralkyl, cycloalkyl, as well as R1 together with R2 may represent heterocyclyl (for example, optionally substituted pyrrolidine, piperidine, azepane, piperazine, morpholine, etc.) provided that, when R1 is H, then R2 is other than hydrogen or methyl. 5-Amino-[1,2,4]thiadiazole derivatives are of special interest as drug candidates for prevention and treatment of neurodegenerative diseases, for example, Alzheimer's disease.

Novel 1,2,4-thiadiazole derivatives as potent neuroprotectors: Approach to creation of bioavailable drugs

Novel 1,2,4-thiadiazole derivatives as potent neuroprotectors were synthesized and identified. Their ability to inhibit the glutamate stimulated Ca uptake was measured. Permeation experiments on the phospholipid membranes were conducted, and the apparent