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5-Bromoindole-7-carboxylic acid, with the molecular formula C9H6BrNO2, is a chemical compound derived from indole, a heterocyclic organic compound. It is characterized by the presence of a bromine atom at the 5th position and a carboxylic acid group at the 7th position. 5-BROMO INDOLE-7-CARBOXYLIC ACID serves as a versatile building block in organic synthesis and pharmaceutical research, contributing to the development of new pharmaceutical products and the study of various biological processes.

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  • 860624-90-4 Structure
  • Basic information

    1. Product Name: 5-BROMO INDOLE-7-CARBOXYLIC ACID
    2. Synonyms: 5-BROMO INDOLE-7-CARBOXYLIC ACID;5-broMo-1H-indole-7-carboxylic acid;1H-Indole-7-carboxylic acid, 5-bromo-
    3. CAS NO:860624-90-4
    4. Molecular Formula: C9H6BrNO2
    5. Molecular Weight: 240.055
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 860624-90-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 464.9±30.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.838±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. PKA: 4.15±0.10(Predicted)
    10. CAS DataBase Reference: 5-BROMO INDOLE-7-CARBOXYLIC ACID(CAS DataBase Reference)
    11. NIST Chemistry Reference: 5-BROMO INDOLE-7-CARBOXYLIC ACID(860624-90-4)
    12. EPA Substance Registry System: 5-BROMO INDOLE-7-CARBOXYLIC ACID(860624-90-4)
  • 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: 860624-90-4(Hazardous Substances Data)

860624-90-4 Usage

Uses

Used in Organic Synthesis:
5-Bromoindole-7-carboxylic acid is used as a key intermediate in organic synthesis for the preparation of various organic compounds. Its unique structure allows for further functionalization and modification, enabling the synthesis of a wide range of molecules with diverse properties and applications.
Used in Pharmaceutical Research:
In pharmaceutical research, 5-Bromoindole-7-carboxylic acid is employed as a building block for the development of new pharmaceutical products. Its structural features make it a valuable component in the design and synthesis of novel drug candidates, potentially leading to the discovery of new therapeutic agents with improved efficacy and selectivity.
Used in the Production of Pharmaceuticals:
5-Bromoindole-7-carboxylic acid is utilized in the manufacturing process of certain pharmaceuticals. Its incorporation into the molecular structure of these drugs can enhance their pharmacological properties, such as potency, stability, and bioavailability, ultimately contributing to their therapeutic effectiveness.
Used in the Production of Dyes:
This chemical compound also finds application in the dye industry, where it is used in the synthesis of various dyes. The presence of the bromine atom and the indole moiety in its structure imparts unique color characteristics to the resulting dyes, making them suitable for use in different industries, such as textiles, plastics, and printing inks.
Used in Industrial Applications:
5-Bromoindole-7-carboxylic acid is employed in various industrial applications, including the development of new materials and the improvement of existing ones. Its unique chemical properties and reactivity make it a valuable component in the formulation of products with specific performance characteristics, such as corrosion resistance, thermal stability, and optical properties.

Check Digit Verification of cas no

The CAS Registry Mumber 860624-90-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,6,0,6,2 and 4 respectively; the second part has 2 digits, 9 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 860624-90:
(8*8)+(7*6)+(6*0)+(5*6)+(4*2)+(3*4)+(2*9)+(1*0)=174
174 % 10 = 4
So 860624-90-4 is a valid CAS Registry Number.

860624-90-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-Bromo-1H-indole-7-carboxylic acid

1.2 Other means of identification

Product number -
Other names 5-bromo-1H-indole-7-caboxylic acid

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:860624-90-4 SDS

860624-90-4Relevant articles and documents

3,5-Disubstituted-indole-7-carboxamides as IKKβ Inhibitors: Optimization of Oral Activity via the C3 Substituent

Kerns, Jeffrey K.,Busch-Petersen, Jakob,Fu, Wei,Boehm, Jeffrey C.,Nie, Hong,Muratore, Michael,Bullion, Ann,Lin, Guoliang,Li, Huijie,Davis, Roderick,Lin, Xichen,Lakdawala, Ami S.,Cousins, Rick,Field, Rita,Payne, Jeremy,Miller, David D.,Bamborough, Paul,Christopher, John A.,Baldwin, Ian,Osborn, Ruth R.,Yonchuk, John,Webb, Edward,Rumsey, William L.

supporting information, p. 1164 - 1169 (2018/11/23)

IκB kinase β (IKKβ or IKK2) is a key regulator of nuclear factor kappa B (NF-κB) and has received attention as a therapeutic target. Herein we report on the optimization of a series of 3,5-disubstituted-indole-7-carboxamides for oral activity. In doing so

PLANT GROWTH REGULATOR

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Paragraph 0039, (2018/05/30)

PROBLEM TO BE SOLVED: To provide a plant growth regulator. SOLUTION: The plant growth regulator comprises a compound represented by formula 1, or a salt or ester thereof as an active ingredient. (R1 is H, a halogen atom, a hydroxy group, an alkyl group, or an alkoxy group; R2 is H, a halogen atom, a hydroxy group, an alkyl group, or an alkoxy group; and R3 is a hydroxy group, an alkoxy group, or an amino group.) SELECTED DRAWING: None COPYRIGHT: (C)2018,JPOandINPIT

CD38 INHIBITORS AND METHODS OF TREATMENT

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, (2016/06/28)

Compounds of Formula (I) and methods of treating diseases of metabolism by modulating cellular NAD+ levels through the inhibition of the CD38 enzyme, are disclosed. Formula (I).

3,5-Disubstituted-indole-7-carboxamides: The discovery of a novel series of potent, selective inhibitors of IKK-β

Miller, David D.,Bamborough, Paul,Christopher, John A.,Baldwin, Ian R.,Champigny, Aurelie C.,Cutler, Geoffrey J.,Kerns, Jeffrey K.,Longstaff, Timothy,Mellor, Geoffrey W.,Morey, James V.,Morse, Mary A.,Nie, Hong,Rumsey, William L.,Taggart, John J.

, p. 2255 - 2258 (2011/05/15)

The discovery and hit-to-lead exploration of a novel series of selective IKK-β kinase inhibitors is described. The initial lead fragment 3 was identified by pharmacophore-directed virtual screening. Homology model-driven SAR exploration of the template le

INDOLE CARBOXAMIDES AS IKK2 INHIBITORS

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, (2008/12/04)

The invention is directed to novel indole carboxamide compounds. Specifically, the invention is directed to compounds according to formula (I): wherein R1, R2, R3, R4, and m are as defined herein. The compounds of the invention are inhibitors of IKK2 and can be useful in the treatment of disorders associated with inappropriate IKK2 (also known as IKKβ) activity, such as rheumatoid arthritis, asthma, rhinitis, and COPD (chronic obstructive pulmonary disease). Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting IKK2 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

CHEMICAL COMPOUNDS

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Page/Page column 39, (2010/11/27)

The invention is directed to novel indolecarboxamide derivatives, Specifically, the invention is directed to compounds according to formula (I), where R1 , R2, R3 and X are defined below. These compounds are useful in the treatment of disorders associated

Indole, indazole and indoline derivatives as CETP inhibitors

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Page/Page column 22, (2010/02/15)

The present invention relates to compounds of formula (I): wherein —X—Y—, R1 to R11 and n are as defined in the description and claims, and pharmaceutically acceptable salts thereof. The compounds are useful for the treatment and/or prevention of diseases which are mediated by CETP inhibitors.

CHEMICAL COMPOUNDS

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Page/Page column 73-74, (2010/10/20)

The invention is directed to novel indole carboxamide derivatives. Specifically, the invention is directed to compounds according to formula (1): where R1, R2, R3, U and V are defined below and to pharmaceutically acceptable salts thereof. The compounds o

INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS

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Page/Page column 39, (2010/02/13)

Indole carboxamide compounds of Formula (I): are provided as inhibitors of kinase activity, in particular IKK2 activity as well as compositions and medicaments containing them, for use in inflammatory and tissue repair disorders.

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