914348-96-2

Basic information

• Product Name: 1-Boc-7-methyl-3-formylindole
• Synonyms: 1-Boc-7-methyl-3-formylindole;tert-Butyl 3-forMyl-7-Methyl-1H-indole-1-carboxylate;1H-INDOLE-1-CARBOXYLIC ACID, 3-FORMYL-7-METHYL-, 1,1-DIMETHYLETHYL ESTER;7-Methylindole-3-carboxaldehyde,N-BOCprotected98%
• CAS NO: 914348-96-2
• Molecular Formula: C₁₅H₁₇NO₃
• Molecular Weight: 259.303
• EINECS: 604-604-1
• Mol File: 914348-96-2.mol

Chemical Properties

• Boiling Point: 396.1°C at 760 mmHg
• Flash Point: 193.3°C
• Appearance: /
• Density: 1.12g/cm³
• Vapor Pressure: 1.75E-06mmHg at 25°C
• Refractive Index: 1.548
• CAS DataBase Reference: 1-Boc-7-methyl-3-formylindole(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Boc-7-methyl-3-formylindole(914348-96-2)
• EPA Substance Registry System: 1-Boc-7-methyl-3-formylindole(914348-96-2)

Safety Data

• Hazardous Substances Data: 914348-96-2(Hazardous Substances Data)

Usage

Uses

Used in Synthetic Organic Chemistry:
1-Boc-7-methyl-3-formylindole is used as a building block for the synthesis of various indole derivatives. Its presence of a 1-Boc protecting group, methyl, and formyl groups allows for versatile synthetic pathways, facilitating the creation of a range of complex organic molecules.
Used in Pharmaceutical Development:
In the pharmaceutical industry, 1-Boc-7-methyl-3-formylindole is used as a key intermediate in the synthesis of new drug candidates. Its unique structure may contribute to the development of novel therapeutic agents with specific biological activities, potentially leading to the discovery of new treatments for various diseases.
Used in Agrochemical Research:
1-Boc-7-methyl-3-formylindole is also utilized in the research and development of new agrochemicals. Its chemical properties and reactivity make it a candidate for the creation of innovative compounds that could be used in agriculture to improve crop protection and yield.
Used in Chemical Science Research:
Due to its interesting molecular properties and potential reactivity, 1-Boc-7-methyl-3-formylindole is used in various fields of chemical science for further exploration. This includes studying its chemical behavior, understanding its interactions with other molecules, and investigating its potential applications in material science and other related disciplines.

InChI:InChI=1/C15H17NO3/c1-10-6-5-7-12-11(9-17)8-16(13(10)12)14(18)19-15(2,3)4/h5-9H,1-4H3

Upstream product

• 4771-50-0 7-methyl-1H-indole-3-carbaldehyde 
• 24424-99-5 di-tert-butyl dicarbonate 

Downstream Products

• 1428969-84-9 2-((3-methoxyphenyl)amino)-1-(7-methyl-1H-indol-3-yl)-2-phenylethanone 

Relevant articles and documents

Structure-guided design, synthesis, and biological evaluation of (2-(1 H-Indol-3-yl)-1 H-imidazol-4-yl)(3,4,5-trimethoxyphenyl) methanone (ABI-231) analogues targeting the colchicine binding site in Tubulin

ABI-231 is a potent, orally bioavailable tubulin inhibitor that interacts with the colchicine binding site and is currently undergoing clinical trials for prostate cancer. Guided by the crystal structure of ABI-231 in complex with tubulin, we performed structure-activity relationship studies around the 3-indole moiety that led to the discovery of several potent ABI-231 analogues, most notably 10ab and 10bb. The crystal structures of 10ab and 10bb in complex with tubulin confirmed their improved molecular interactions to the colchicine site. In vitro, biological studies showed that new ABI-231 analogues disrupt tubulin polymerization, promote microtubule fragmentation, and inhibit cancer cell migration. In vivo, analogue 10bb not only significantly inhibits primary tumor growth and decreases tumor metastasis in melanoma xenograft models but also shows a significant ability to overcome paclitaxel resistance in a taxane-resistant PC-3/TxR model. In addition, pharmacological screening suggested that 10bb has a low risk of potential off-target function.

VIRAL REPLICATION INHIBITORS

The present invention relates to a series of novel compounds, methods to prevent or treat viral infections in animals by using the novel compounds and to said novel compounds for use as a medicine, more preferably for use as a medicine to treat or prevent viral infections, particularly infections with RNA viruses, more particularly infections with viruses belonging to the family of the Flaviviridae, and yet more particularly infections with the Dengue virus. The present invention furthermore relates to pharmaceutical compositions or combination preparations of the novel compounds, to the compositions or preparations for use as a medicine, more preferably for the prevention or treatment of viral infections. The invention also relates to processes for preparation of the compounds.