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Ethyl 3-bromo-4-methyl-1H-pyrazole-5-carboxylate is a pyrazole derivative with the molecular formula C7H8BrN3O2, featuring a carboxylic ester functional group. This chemical compound is widely utilized in organic synthesis and pharmaceutical research due to its potential medicinal properties, including anti-inflammatory, analgesic effects, and enzyme inhibition capabilities. It serves as a versatile and valuable compound for the development of new drugs and bioactive molecules.

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  • 1257861-04-3 Structure
  • Basic information

    1. Product Name: ethyl 3-bromo-4-methyl-1H-pyrazole-5-carboxylate
    2. Synonyms: ethyl 3-bromo-4-methyl-1H-pyrazole-5-carboxylate;ethyl5-broMo-4-Methyl-1Hpyrazole-3-carboxylate
    3. CAS NO:1257861-04-3
    4. Molecular Formula: C7H9BrN2O2
    5. Molecular Weight: 233
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1257861-04-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 337.5±37.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.576±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    8. Solubility: N/A
    9. PKA: 8.87±0.50(Predicted)
    10. CAS DataBase Reference: ethyl 3-bromo-4-methyl-1H-pyrazole-5-carboxylate(CAS DataBase Reference)
    11. NIST Chemistry Reference: ethyl 3-bromo-4-methyl-1H-pyrazole-5-carboxylate(1257861-04-3)
    12. EPA Substance Registry System: ethyl 3-bromo-4-methyl-1H-pyrazole-5-carboxylate(1257861-04-3)
  • 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: 1257861-04-3(Hazardous Substances Data)

1257861-04-3 Usage

Uses

Used in Pharmaceutical Research:
Ethyl 3-bromo-4-methyl-1H-pyrazole-5-carboxylate is used as a key intermediate in the synthesis of various pharmaceutical compounds for its potential medicinal properties. It contributes to the development of new drugs and bioactive molecules, enhancing their therapeutic effects and applications.
Used in Organic Synthesis:
In the field of organic synthesis, ethyl 3-bromo-4-methyl-1H-pyrazole-5-carboxylate is employed as a versatile building block for the creation of complex organic molecules. Its unique structure and functional groups facilitate various chemical reactions, enabling the synthesis of a wide range of compounds with diverse applications.
Used in Enzyme Inhibition:
Ethyl 3-bromo-4-methyl-1H-pyrazole-5-carboxylate is utilized as an enzyme inhibitor, targeting specific enzymes involved in various biological processes. Its ability to inhibit certain enzymes makes it a promising candidate for the development of drugs that modulate enzyme activity, potentially leading to the treatment of various diseases and conditions.
Used in Anti-inflammatory and Analgesic Applications:
ethyl 3-bromo-4-methyl-1H-pyrazole-5-carboxylate is used as an anti-inflammatory and analgesic agent, leveraging its potential to alleviate pain and reduce inflammation. Its properties make it a valuable component in the development of medications for the treatment of various inflammatory and painful conditions, improving patient outcomes and quality of life.

Check Digit Verification of cas no

The CAS Registry Mumber 1257861-04-3 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,5,7,8,6 and 1 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 1257861-04:
(9*1)+(8*2)+(7*5)+(6*7)+(5*8)+(4*6)+(3*1)+(2*0)+(1*4)=173
173 % 10 = 3
So 1257861-04-3 is a valid CAS Registry Number.

1257861-04-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name Ethyl 3-bromo-4-methyl-1H-pyrazole-5-carboxylate

1.2 Other means of identification

Product number -
Other names Ethyl 5-bromo-4-methyl-1H-pyrazole-3-carboxylate

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:1257861-04-3 SDS

1257861-04-3Downstream Products

1257861-04-3Relevant articles and documents

HETEROCYCLIC PAD4 INHIBITORS

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Page/Page column 287, (2021/08/20)

The disclosure generally relates to substituted heterocyclic compounds of Formula (Ia), which are inhibitors of PAD4, method for preparing these compounds, pharmaceutical compositions comprising these compounds and use of these compounds in the treatment of a disease or a disorder associated with PAD4 enzyme activity.

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