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3-Cyanoindole

CAS 5457-28-3C9H6N2Chemical Synthesis

3-Cyanoindole (CAS: 5457-28-3), with the molecular formula C9H6N2 and a molecular weight of 142.16, is a valuable heterocyclic building block. It serves as a key reactant in the synthesis of various complex organic molecules. Its applications span the development of potential therapeutic agents, including anticancer immunomodulators, inhibitors of RNA polymerase II, and antiviral compounds, making it an important intermediate in pharmaceutical research and chemical synthesis.

IUPAC
3-Indolecarbonitrile,NSC 24935
Synonyms
3-IndolecarbonitrileNSC 24935
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3-Cyanoindole (C9H6N2) — chemical structure, CAS 5457-28-3; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksC7 to C9Chemical SynthesisHeterocyclic Building BlocksIndoles
01 /Applications

Anticancer Immunomodulators

3-Cyanoindole is used as a reactant in the preparation of pyridyl-ethenyl-indoles, which are investigated as potential anticancer immunomodulators targeting tryptophan dioxygenase.

Antitumor Agents

It serves as a precursor for synthesizing inhibitors of the C-terminal domain of RNA polymerase II, compounds exhibiting antitumor activities.

GSK-3β Inhibitors

The compound is a reactant for the synthesis of inhibitors targeting glycogen synthase kinase 3β (GSK-3β), a pathway implicated in various diseases.

HIV-1 Integrase Inhibitors

3-Cyanoindole is employed in the synthetic routes towards the development of inhibitors targeting HIV-1 integrase.

Medium-Ring Synthesis

It acts as a reactant in intramolecular oxidative C-H coupling reactions, which have applications in advanced medium-ring synthesis techniques.

02 /Properties
Molecular weight142.16
Empirical formulaC9H6N2
Assay98%
ApplicationReactant for preparation of:• Tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators1• Inhibitors of the C-terminal domain of RNA polymerase II with antitumor activities• 4-substituted β-lactams2• Biologically active Indoles3• Inhibitors of glycogen synthase kinase 3β (GSK-3)4• HIV-1 integrase inhibitors5• Indole fragments as inosine monophosphate dehydrogenase (IMPDH) inhibitors6• Aziridinomitosene skeleton7• Potential antiviral agents8Reactant for:• Intramolecular oxidative C-H coupling reactions with applications in medium-ring synthesis techniques9
Melting point179-182 °C(lit.)
03 /Safety & handling
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Warning

Hazard statements

  • H302Harmful if swallowed
  • H312Harmful in contact with skin
  • H315Causes skin irritation
  • H319Causes serious eye irritation
  • H332Harmful if inhaled
  • H335May cause respiratory irritation

Precautionary statements

  • P261Avoid breathing dust, fume, gas or vapours
  • P280Wear protective gloves, clothing and eye/face protection
  • P305IF IN EYES
Protective equipmentdust mask type N95 (US), Eyeshields, Gloves
Water hazard class (WGK, DE)3
Hazard codes (EU)Xn
Risk statements (R)20/21/22-36/37/38
Safety statements (S)26-37/39

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
5457-28-3
MDL number
MFCD00022717
PubChem substance
24861537
05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is 3-Cyanoindole primarily used for?

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3-Cyanoindole is primarily used as a reactant in the synthesis of various biologically active compounds, including potential anticancer immunomodulators, antitumor agents, and HIV-1 integrase inhibitors.

What is the CAS number and molecular formula for 3-Cyanoindole?

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The CAS number for 3-Cyanoindole is 5457-28-3 and its molecular formula is C9H6N2.

What grade and purity does Tech Serve Solutions supply for 3-Cyanoindole?

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Tech Serve Solutions supplies 3-Cyanoindole with an assay of 98%. We do not represent this product as USP, BP, or EP grade.

How should 3-Cyanoindole be handled safely?

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3-Cyanoindole is a Warning substance with hazards including H302, H312, H315, H319, H332, and H335. It requires handling with appropriate personal protective equipment such as a dust mask (type N95), eyeshields, and gloves. Ensure good ventilation and avoid breathing dust.

Is 3-Cyanoindole available for export?

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Yes, Tech Serve Solutions is a specialist global supplier and exporter of fine chemicals, including 3-Cyanoindole, and can accommodate export orders.

How can I request a sample or quote for 3-Cyanoindole?

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To request a sample or a quote for 3-Cyanoindole, please contact our sales team through the website or directly via email or phone.

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