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6127-20-4

2-(4-Chloro-2-Methyl-1H-indol-3-yl)acetic acid is a chemical compound with the molecular formula C11H10ClNO2. It is a derivative of indole, a heterocyclic aromatic organic compound, and features a chlorine atom at the 4-position, a methyl group at the 2-position, and an acetic acid group attached to the 3-position. 2-(4-Chloro-2-Methyl-1H-indol-3-yl)acetic acid is known for its potential applications in the synthesis of various pharmaceuticals and agrochemicals, particularly as a building block for the development of new drugs. Its structure and properties make it a versatile intermediate in organic synthesis, with potential uses in the creation of compounds with specific biological activities.

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  • 6127-20-4 Structure

  • Basic information

    1. Product Name: 2-(4-Chloro-2-Methyl-1H-indol-3-yl)acetic acid
    2. Synonyms: 2-(4-Chloro-2-Methyl-1H-indol-3-yl)acetic acid;DVYFYPAMPUDXFH-UHFFFAOYSA-N
    3. CAS NO:6127-20-4
    4. Molecular Formula: C11H10ClNO2
    5. Molecular Weight: 223.6556
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 6127-20-4.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 2-(4-Chloro-2-Methyl-1H-indol-3-yl)acetic acid(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-(4-Chloro-2-Methyl-1H-indol-3-yl)acetic acid(6127-20-4)
    11. EPA Substance Registry System: 2-(4-Chloro-2-Methyl-1H-indol-3-yl)acetic acid(6127-20-4)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 6127-20-4(Hazardous Substances Data)

6127-20-4 Usage

Indole derivative

The compound is derived from the indole structure, which is a heterocyclic aromatic organic compound.

Chloro and methyl group

The compound contains a chlorine (-Cl) and a methyl (-CH3) group attached to the indole ring, which can affect its chemical properties and reactivity.

Acetic acid group

The compound has an acetic acid group (-COOH) attached to the indole nitrogen, which can contribute to its acidity and ability to form hydrogen bonds.

Potential pharmaceutical applications

2-(4-Chloro-2-Methyl-1H-indol-3-yl)acetic acid has been studied for its potential as an anti-inflammatory and antifungal agent, indicating its potential use in the development of new drugs.

Medicinal chemistry research

The structure and properties of the compound make it a promising candidate for further research and development in the field of medicinal chemistry, which focuses on the discovery and design of new drugs.

Check Digit Verification of cas no

The CAS Registry Mumber 6127-20-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,1,2 and 7 respectively; the second part has 2 digits, 2 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 6127-20:
(6*6)+(5*1)+(4*2)+(3*7)+(2*2)+(1*0)=74
74 % 10 = 4
So 6127-20-4 is a valid CAS Registry Number.

6127-20-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name (4-chloro-2-methyl-indol-3-yl)-acetic acid

1.2 Other means of identification

Product number -
Other names (4-Chlor-2-methyl-indol-3-yl)-essigsaeure

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:6127-20-4 SDS

6127-20-4Downstream Products

6127-20-4Relevant articles and documents

Depsipeptides Featuring a Neutral P1 Are Potent Inhibitors of Kallikrein-Related Peptidase 6 with On-Target Cellular Activity

De Vita, Elena,Schüler, Peter,Lovell, Scott,Lohbeck, Jasmin,Kullmann, Sven,Rabinovich, Eitan,Sananes, Amiram,He?ling, Bernd,Hamon, Veronique,Papo, Niv,Hess, Jochen,Tate, Edward W.,Gunkel, Nikolas,Miller, Aubry K.

supporting information, p. 8859 - 8874 (2018/10/09)

Kallikrein-related peptidase 6 (KLK6) is a secreted serine protease that belongs to the family of tissue kallikreins (KLKs). Many KLKs are investigated as potential biomarkers for cancer as well as therapeutic drug targets for a number of pathologies. KLK6, in particular, has been implicated in neurodegenerative diseases and cancer, but target validation has been hampered by a lack of selective inhibitors. This work introduces a class of depsipeptidic KLK6 inhibitors, discovered via high-throughput screening, which were found to function as substrate mimics that transiently acylate the catalytic serine of KLK6. Detailed structure-activity relationship studies, aided by in silico modeling, uncovered strict structural requirements for potency, stability, and acyl-enzyme complex half-life. An optimized scaffold, DKFZ-251, demonstrated good selectivity for KLK6 compared to other KLKs, and on-target activity in a cellular assay. Moreover, DKFZ-633, an inhibitor-derived activity-based probe, could be used to pull down active endogenous KLK6.

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