4,6-Dimethoxyindole - ≥98%(GC) , CAS No.23659-87-2

CAS: 23659-87-2 Cat. No.: D124809 Peso molecular: 177.2 Número EC: 625-662-3

GRADE & PURITY ≥98%(GC)

Synonyms

4,6-Dimethoxyindole, >=98.0% (GC) | DTXSID10356686 | SMR000225209 | 4,6-Dimethoxyindole | HMS2581G18 | D-4314 | MLS000699242 | 4 pound not6-Dimethoxyindole | FT-0630248 | AC-24591 | MFCD00128213 | AKOS004119332 | SB15265 | STK784027 | SCHEMBL5925752 | 1H-

Storage

Room temperature

Shipped In

Normal

Descripción general

Product Application:

Reactant for preparation of methoxy-substituted (benzyl)indolebutenoic acids and their HIV-1 integrase strand-transfer inhibition

Reactant for preparation of benzyl trimethoxyindoles as antimitotic agents

Reactant for preparation of antibacterial agents

Reactant for preparation of pyridocarbazoles and pyrrolocarbazole analogs as anti-tumor agents

Reactant for preparation of methoxy-substituted N1-benzenesulfonylindole analogs as human 5-HT6 serotonin receptor ligands

Specifications

Sinónimos

4, 6-Dimethoxyindole, >=98.0% (GC) | DTXSID10356686 | SMR000225209 | 4, 6-Dimethoxyindole | HMS2581G18 | D-4314 | MLS000699242 | 4 pound not6-Dimethoxyindole | FT-0630248 | AC-24591 | MFCD00128213 | AKOS004119332 | SB15265 | STK784027 | SCHEMBL5925752 | 1H-

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488191592
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191592
• Sonrisas canónicas: COC1=CC2=C(C=CN2)C(=C1)OC
• IUPAC Name: 4,6-dimethoxy-1H-indole
• InChIKey: NRQBTNARWALYSB-UHFFFAOYSA-N
• INCHI: 1S/C10H11NO2/c1-12-7-5-9-8(3-4-11-9)10(6-7)13-2/h3-6,11H,1-2H3
• Isómeros SMILES: COC1=CC2=C(C=CN2)C(=C1)OC
• WGK Alemania: 3
• Peso molecular: 177.2
• Reaxy-Rn: 1453271
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1453271&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Anisoles Alkyl aryl ethers Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Anisole - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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)

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

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Luciferin 4-monooxygenase (66902 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 177.200 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 177.079 Da
• Monoisotopic Mass: 177.079 Da
• Topological Polar Surface Area: 34.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 174.000
• 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