3,7-Dimethoxyphenothiazine , CAS No.1730-43-4

CAS: 1730-43-4 Cat. No.: D668337 Peso molecular: 259.329

Synonyms

3,7-Dimethoxyphenothiazine | 3,7-Dimethoxy-10H-phenothiazine | 10H-Phenothiazine, 3,7-dimethoxy- | 3,7-dimethoxy-phenothiazine | Oprea1_773697 | DTXSID70347414 | 3,7-Dimethoxy-10H-phenothiazine # | BDBM50389292 | EN300-23811747 | Z56754477

Storage

Room temperature

Specifications

Sinónimos

3, 7-Dimethoxyphenothiazine | 3, 7-Dimethoxy-10H-phenothiazine | 10H-Phenothiazine, 3, 7-dimethoxy- | 3, 7-dimethoxy-phenothiazine | Oprea1_773697 | DTXSID70347414 | 3, 7-Dimethoxy-10H-phenothiazine # | BDBM50389292 | EN300-23811747 | Z56754477

Condiciones de almacenamiento de almacenamiento

Room temperature

Propiedades del producto

• ALogP: 3.6

Nombres e identificadores

• Sonrisas canónicas: COC1=CC2=C(C=C1)NC3=C(S2)C=C(C=C3)OC
• IUPAC Name: 3,7-dimethoxy-10H-phenothiazine
• InChIKey: OZYCUQNWECHWDU-UHFFFAOYSA-N
• INCHI: 1S/C14H13NO2S/c1-16-9-3-5-11-13(7-9)18-14-8-10(17-2)4-6-12(14)15-11/h3-8,15H,1-2H3
• Isómeros SMILES: COC1=CC2=C(C=C1)NC3=C(S2)C=C(C=C3)OC
• Peso molecular: 259.329
• Reaxy-Rn: 241054
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=241054&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzothiazines
      • Subclass Phenothiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzothiazines
• Subclass: Phenothiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenothiazines
• Alternative Parents: Diarylthioethers Anisoles Alkyl aryl ethers 1,4-thiazines Secondary amines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenothiazine - Diarylthioether - Aryl thioether - Anisole - Alkyl aryl ether - Para-thiazine - Benzenoid - Ether - Secondary amine - Thioether - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.
• 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)

SNCA Tchem Alpha-synuclein (2 Activities)

Discover Target: SNCA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 259.329 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 259.067 Da
• Monoisotopic Mass: 259.067 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 263.000
• 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