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1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)Methyl]-3-[(1,1-diMethylethyl)thio]-5-hydroxy-α,α-diMethyl-, Methyl ester is a complex organic chemical compound characterized by the presence of an indole ring, a propanoic acid group, a chlorophenylmethyl group, and a methyl ester group. Additionally, it features a thio group, a hydroxy group, and multiple methyl groups. The combination of these functional groups suggests that 1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)Methyl]-3-[(1,1-diMethylethyl)thio]-5-hydroxy-α,α-diMethyl-, Methyl ester may exhibit a range of biological and pharmacological properties, which would require further research and testing to elucidate.

136694-17-2

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136694-17-2 Usage

Uses

Given the complexity of the compound and the lack of specific information on its applications, the following potential uses are speculative and would need to be validated through scientific investigation:
Used in Pharmaceutical Industry:
1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)Methyl]-3-[(1,1-diMethylethyl)thio]-5-hydroxy-α,α-diMethyl-, Methyl ester could be used as a pharmaceutical agent for [specific therapeutic area] due to its diverse functional groups, which may contribute to its interaction with biological targets and potential therapeutic effects.
Used in Chemical Research:
In the field of chemical research, 1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)Methyl]-3-[(1,1-diMethylethyl)thio]-5-hydroxy-α,α-diMethyl-, Methyl ester may serve as a starting material or intermediate in the synthesis of other complex organic molecules, given its unique structural features and the presence of multiple functional groups that can be further modified or utilized in reactions.
Used in Material Science:
1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)Methyl]-3-[(1,1-diMethylethyl)thio]-5-hydroxy-α,α-diMethyl-, Methyl ester's structural characteristics might also make it a candidate for use in material science, potentially for the development of new materials with specific properties, such as optical, electronic, or mechanical attributes, depending on its physical and chemical behavior.

Check Digit Verification of cas no

The CAS Registry Mumber 136694-17-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,6,6,9 and 4 respectively; the second part has 2 digits, 1 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 136694-17:
(8*1)+(7*3)+(6*6)+(5*6)+(4*9)+(3*4)+(2*1)+(1*7)=152
152 % 10 = 2
So 136694-17-2 is a valid CAS Registry Number.

136694-17-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-hydroxyindol-2-yl]-2,2-dimethylpropanoate

1.2 Other means of identification

Product number -
Other names Methyl 3-[N-(p-chlorobenzyl)-5-hydroxy-3-(t-butylthio)indol-2-yl]-2,2-dimethylpropanoate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:136694-17-2 SDS

136694-17-2Relevant academic research and scientific papers

INDOLE CARBOXYLATE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS

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, (2008/06/13)

Compounds of the structure where A is straight or branched divalent alkylene or divalent cycloalkylene, R1 is selected from hydrogen; alkylthio; optionally substituted phenylthio; optionally substituted phenylalkylthio; optionally substituted 2-, 3-, and 4-pyridyl; optionally substituted 2-, and 3-thienylthio; and optionally substituted 2-thiazolythio, R2 is selected from -COOB; -COOalkyl; -COOalkyl(carbocyclic aryl); -CONR5R6 ; -COR6 ; and -OH, R3 is selected from phenylalkyl and heteroarylalkyl, and R4 is selected from optionally substituted alkoxy(carbocyclic aryl); optionally substituted carbocyclic aryloxy; optionally substituted heteroarylalkoxy; and optionally substituted heteroaryloxy are potent inhibitors of lipoxygenase enzymes and thus inhibit the biosynthesis of of leukotrienes. These compounds are useful in the treatment or amelioration of allergic and inflammatory disease states

(Quinolin-2-ylmethoxy)indoles as inhibitors of the biosynthesis of leukotrienes

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, (2008/06/13)

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, platelet aggregation, cerebral spasm, premature labor, spontaneous abortion, dysmenorrhea, and migraine.

(Quinolin-2-ylmethoxy)indole/cyclodextrin complex

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, (2008/06/13)

A complex of cyclodextrin and 3-[N-(p-chlorobenzyl)-3-(t-buthylthio)-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid, sodium salt is more soluble in water than the sodium salt alone. The complex is useful as an anti-asthmatic, anti-allergic

Amorphous (quinolin-2-ylmethoxy)indole compounds which have useful pharmaceutical utility

-

, (2008/06/13)

A form of 3-[N-(p-chlorobenzyl)-3-(t-butylthio)-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid sodium salt, obtained by freeze or spray drying, is more soluble in water than the crystalline form thereof. The compound is useful as an anti-a

Thiopyrano[2,3,4-c,d]indoles as inhibitors of leukotriene biosynthesis

-

, (2008/06/13)

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 angina, cerebral spasm, glomerular nephritis, hepatitis, endotoxemia, psoriasis, uveitis and allograft rejection and in preventing the formation of atherosclerotic plaques.

Substituted thiopyrano[2,3,4-c,d]indoles as potent, selective, and orally active inhibitors of 5-lipoxygenase. Synthesis and biological evaluation of L-691,816

Hutchinson,Riendeau,Brideau,Chan,Delorme,Denis,Falgueyret,Fortin,Guay,Hamel,Jones,Macdonald,McFarlane,Piechuta,Scheigetz,Tagari,Therien,Girard

, p. 2771 - 2787 (2007/10/02)

Thiopyrano[2,3,4-c,d]indoles are a new class of 5-lipoxygenase (5-LO) inhibitors. SAR studies have demonstrated that the thiopyran ring, the 5- phenylpyridine substituent, and an acidic functional group on a four-carbon C-2 side chain are all required for optimal inhibitor potency. In contrast, the indolic nitrogen may be substituted with a variety of lipophilic groups. As a result of the SAR investigation, 44 (L-691,816; 5-[3-[1-(4- chlorobenzyl)-4-methyl-6-[(5-phenylpyridin-2-yl)methoxy]-4,5-dihydro-1H- thiopyrano[2,3,4-c,d]indol-2-yl]-2,2-dimethylpropyl]-1H-tetrazole) has been identified as a potent inhibitor of the 5-LO reaction both in vitro and in a range of in vivo models. Compound 44 inhibits 5-HPETE production by both rat and human 5-LO and LTB4 synthesis in human PMN leukocytes (IC50s 16, 75, and 10 nM, respectively). The mechanism of inhibition of 5-LO activity by compound 44 appears to involve the formation of a reversible deadend complex with the enzyme and does not involve reduction of the nonheme iron of 5-LO. Compound 44 is highly selective for 5-LO when compared to the inhibition of human FLAP, porcine 12-LO, and also ram seminal vesicle cyclooxygenase. In addition, 44 is orally active in a rat pleurisy model (inhibition of LTB4, ED50 = 1.9 mg/kg; 8 h pretreatment) as well as in the hyperreactive rat model of antigen-induced dyspnea (ED50 = 0.1 mg/kg; 2-h pretreatment). Excellent functional activity was also observed in both the conscious allergic monkey and sheep models of asthma. In the latter case, the functional activity observed correlated with the inhibition of urinary LTE4 excretion.

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