2-Amino-6-methylbenzothiazole - ≥98%(HPLC) , CAS No.2536-91-6

CAS: 2536-91-6 Cat. No.: A151204 Peso molecular: 164.23 Número EC: 219-801-3

GRADE & PURITY ≥98%(HPLC)

Synonyms

2-amino-6-methyl-1,3-benzothiazole | 6-Methyl-1,3-benzothiazol-2-amine | 6-methylbenzo[d]thiazol-2-amine | DTXSID0062501 | NSC 118944 | NSC118944 | NSC-118944 | SMR000137127 | 8372J8V89N | AKOS000104293 | W10175 | InChI=1/C8H8N2S/c1-5-2-3-6-7(4-5)11-8(9)1

Storage

Room temperature

Shipped In

Normal

Descripción general

The anti-tetanus activity of 2-amino-6-methylbenzothiazole, a muscle relactant, was studied.

2-Amino-6-methylbenzothiazole was used in the preparation of 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-[2-(substituted phenyl/furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]nicotinamides.

Specifications

Sinónimos

2-amino-6-methyl-1, 3-benzothiazole | 6-Methyl-1, 3-benzothiazol-2-amine | 6-methylbenzo[d]thiazol-2-amine | DTXSID0062501 | NSC 118944 | NSC118944 | NSC-118944 | SMR000137127 | 8372J8V89N | AKOS000104293 | W10175 | InChI=1/C8H8N2S/c1-5-2-3-6-7(4-5)11-8(9)1

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488182381
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182381
• Sonrisas canónicas: CC1=CC2=C(C=C1)N=C(S2)N
• IUPAC Name: 6-methyl-1,3-benzothiazol-2-amine
• InChIKey: DZWTXWPRWRLHIL-UHFFFAOYSA-N
• INCHI: 1S/C8H8N2S/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H2,9,10)
• Isómeros SMILES: CC1=CC2=C(C=C1)N=C(S2)N
• WGK Alemania: 3
• RTECS: DL2625000
• Peso molecular: 164.23
• Reaxy-Rn: 122040
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=122040&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Benzenoids 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - 1,3-thiazol-2-amine - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• 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

Objetivos asociados (humanos)

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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HepG2 (196354 Activities)

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HeLa (62764 Activities)

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IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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DAO Tchem D-amino-acid oxidase (802 Activities)

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GMNN Tbio Geminin (128009 Activities)

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RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

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microRNA 21 (64692 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

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Rattus norvegicus (775804 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 140-142°C
• Peso molecular: 164.230 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 164.041 Da
• Monoisotopic Mass: 164.041 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 151.000
• 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

Referencias

1. Feng Dou, Jian Han, Jihui Li, Huixin Zhang, Kang Qiao, Jiahui Kan, Jianxin Chen.  (2022)  Exploration of novel polyaspartic acid derivatives as fluorescent eco-friendly corrosion inhibitors for the carbon steel: Electrochemical, surface analysis (SEM/XPS) and theoretical calculation.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2022.130606]