148693-71-4

Basic information

• Product Name: 1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)Methyl]-3-[(1,1-diMethylethyl)thio]-5-hydroxy-α,α-diMethyl-
• Synonyms: 1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)Methyl]-3-[(1,1-diMethylethyl)thio]-5-hydroxy-α,α-diMethyl-;3-(3-(tert-Butylthio)-1-(4-chlorobenzyl)-5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoic acid
• CAS NO: 148693-71-4
• Molecular Formula: C₂₄H₂₈ClNO₃S
• Molecular Weight: 446.00202
• Mol File: 148693-71-4.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 635.4±55.0 °C(Predicted)
• Appearance: /
• Density: 1.21±0.1 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 4.70±0.10(Predicted)
• CAS DataBase Reference: 1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)Methyl]-3-[(1,1-diMethylethyl)thio]-5-hydroxy-α,α-diMethyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)Methyl]-3-[(1,1-diMethylethyl)thio]-5-hydroxy-α,α-diMethyl-(148693-71-4)
• EPA Substance Registry System: 1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)Methyl]-3-[(1,1-diMethylethyl)thio]-5-hydroxy-α,α-diMethyl-(148693-71-4)

Safety Data

• Hazardous Substances Data: 148693-71-4(Hazardous Substances Data)

Usage

Indole ring system

Aromatic ring structure with a five-membered carbon ring and a six-membered nitrogen-containing ring.

Propanoic acid group

A carboxylic acid functional group (-COOH) attached to a three-carbon alkyl chain (propyl group).

Chlorophenylmethyl group

A phenyl ring (benzene ring) with a chlorine atom and a methyl group (-CH3) attached to the same carbon atom.

Isopropylthio group

A thiol functional group (-SH) attached to a branched two-carbon alkyl group (isopropyl group).

Hydroxyl group

A polar functional group (-OH) that can form hydrogen bonds and participate in various chemical reactions.

Methyl groups (two)

Small alkyl groups (-CH3) attached to the alpha carbon, contributing to the molecular structure and properties of the compound.

Potential applications

The compound may have uses in pharmaceuticals, agrochemicals, or other industries due to its structural complexity and unique chemical properties.

Further research and testing

The specific uses and effects of the compound would need to be investigated through additional research and testing to determine its practical applications and safety.

Upstream product

• 75-66-1 2-methylpropan-2-thiol 
• 136694-15-0 3-[1-(4-chlorobenzyl)-3-(t-butylthio)-5-methoxyindol-2-yl]-2,2-dimethylpropanoic acid methyl ester 
• 136558-13-9 ethyl 5-t-butylthio-2,2-dimethyl-4-oxo-pentanoate 
• 62646-04-2 1-(4-chlorobenzyl)-1-(4-methoxyphenyl)hydrazine 
• 147961-24-8 3-[1-(4-Chlorobenzyl)-5-hydroxyindol-2-yl]-2,2-dimethylpropanoic acid 

Downstream Products

• 148929-09-3 3-[1-(4-chlorobenzyl)-5-(6-chloropyrid-2-ylmethoxy)-3-(1,1-dimethylethylthio)indol-2-yl]-2,2-dimethylpropionic acid 
• 149167-98-6 3-[1-(4-chlorobenzyl)-3-(1,1-dimethylethylthio)-5-(thiazol-4-ylmethoxy)indol-2-yl]-2,2-dimethylpropionic acid 
• 148929-01-5 3-[1-(4-chlorobenzyl)-3-(1,1-dimethylethylthio)-5-(pyrid-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropionic acid 
• 154325-78-7 ethyl 3-[1-(4-chlorobenzyl)-3-(1,1-dimethylethylthio)-5-(pyrid-3-ylmethoxy)indol-2-yl]-2,2-dimethylpropionate 

Relevant articles and documents

O-alkylcarboxylate oxime and N-hydroxyurea analogs of substituted indole leukotriene biosynthesis inhibitors

Reference FLAP inhibitors 1 and 2 were converted into the corresponding O-acetic acid oxime congeners 8 and 11a, respectively, resulting in potent, orally active, leukotriene biosynthesis inhibitors. An attempt to create a dual FLAP and direct 5-LO inhibitor by replacing the carboxylate group in 1 with the N-hydroxyurea pharmacophore did not provide superior inhibitors.

(hetero-arylmethoxy)indoles as inhibitors of leukotriene biosynthesis

Compounds having the formula I: STR1 are inhibitors of leukotriene biosynthesis. These compounds are useful as anti-asthmatic, anti-allergic, anti-inflammatory, and cytoprotective agents. They are also useful in treating diarrhea, hypertension, angina, pl

Bicyclic-azaarylmethoxy) indoles as inhibitors of leukotriene biosynthesis

Compounds having the formula I: STR1 are inhibitors of leukotriene biosynthesis. These compounds are useful as anti-asthmatic, anti-allergic, anti-inflammatory, and cytoprotective agents. They are also useful in treating diarrhea, hypertension, angina, pl