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

CAS: 23659-87-2 Cat. No.: D124809 Formule: C₁₀H₁₁NO₂ Poids moléculaire: 177.2 Numéro CE: 625-662-3

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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

Spécifications

Synonymes

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-

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488191592

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191592

Sourires canoniques

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

Isomères SMILES

COC1=CC2=C(C=CN2)C(=C1)OC

WGK Allemagne

3

Poids moléculaire

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
    • Classe Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Cibles associées (humaines)

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

Cibles associées (non humaines)

Luciferin 4-monooxygenase (66902 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 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

Foire aux questions

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

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

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 23659-87-2, the molecular formula is C10H11NO2, and the molecular weight is 177.2 g/mol. InChIKey NRQBTNARWALYSB-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.