MS 21570 - ≥98%(HPLC) , CAS No.65373-29-7

CAS: 65373-29-7 Cat. No.: M287065 Fórmula: C₁₀H₁₁N₃S₂ Peso molecular: 237.34

GRADE & PURITY ≥98%(HPLC)

Synonyms

MS0021570 | 5-(Benzylsulfanyl)-N-methyl-1,3,4-thiadiazol-2-amine | MS0021570_1 | N-Methyl-5-[(phenylmethyl)thio]-1,3,4-thiazadiazol-2-amine | MS 21570 | 5-(Benzylthio)-N-methyl-1,3,4-thiadiazol-2-amine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

MS0021570 | 5-(Benzylsulfanyl)-N-methyl-1,3,4-thiadiazol-2-amine | MS0021570_1 | N-Methyl-5-[(phenylmethyl)thio]-1,3,4-thiazadiazol-2-amine | MS 21570 | 5-(Benzylthio)-N-methyl-1,3,4-thiadiazol-2-amine

Especificações e pureza

≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

GPR171 antagonist (IC50= 220 nM). InhibitsBigLEN mediated increases in [35S]GTPγS binding in hypothalamic membranes and hyperpolarization of basolateral amygdala pyramidal neurons. Reduces anxiety-like behavior and fear conditioning in mice.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%(HPLC)

Nomes e identificadores

• Pubchem Sid: 504760177
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760177
• Sorrisos canónicos: CNC1=NN=C(S1)SCC2=CC=CC=C2
• IUPAC Name: 5-benzylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
• InChIKey: KFLNRVSOQJTXDG-UHFFFAOYSA-N
• INCHI: 1S/C10H11N3S2/c1-11-9-12-13-10(15-9)14-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12)
• SMILES isoméricas: CNC1=NN=C(S1)SCC2=CC=CC=C2
• Peso molecular: 237.34
• Reaxy-Rn: 203660
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=203660&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Secondary alkylarylamines Alkylarylthioethers 2-amino-5-substituted-1,3,4-thiadiazoles Benzene and substituted derivatives Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl thioether - Secondary aliphatic/aromatic amine - Alkylarylthioether - 2-amino-5-substituted-1,3,4-thiadiazole - 2-amino-1,3,4-thiadiazole - Monocyclic benzene moiety - Benzenoid - Azole - Thiadiazole - Heteroaromatic compound - Sulfenyl compound - Secondary amine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Amine - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 23.73, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 23.73, Max Conc. mM: 100
• Peso molecular: 237.300 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 237.039 Da
• Monoisotopic Mass: 237.039 Da
• Topological Polar Surface Area: 91.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 186.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 65373-29-7, the molecular formula is C10H11N3S2, and the molecular weight is 237.34 g/mol. InChIKey KFLNRVSOQJTXDG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.