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5-(4-chlorophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid is a chemical compound with the molecular formula C12H10ClNO2. It is a derivative of pyrrole, featuring a carboxylic acid group, a chlorophenyl group, and a methyl group. 5-(4-chlorophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid is known for its potential medicinal properties, including anti-inflammatory and analgesic effects, and is utilized in the synthesis of pharmaceutical drugs.

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  • 1017414-83-3 Structure
  • Basic information

    1. Product Name: 5-(4-Chlorophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid
    2. Synonyms: 5-(4-Chlorophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid;5-(4-chlorophenyl)-1-methylpyrrole-2-carboxylic acid;1H-Pyrrole-2-carboxylic acid, 5-(4-chlorophenyl)-1-mehtyl-
    3. CAS NO:1017414-83-3
    4. Molecular Formula: C12H10ClNO2
    5. Molecular Weight: 235.6663
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1017414-83-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 419.4±35.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.29±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: 4.36±0.41(Predicted)
    10. CAS DataBase Reference: 5-(4-Chlorophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: 5-(4-Chlorophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid(1017414-83-3)
    12. EPA Substance Registry System: 5-(4-Chlorophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid(1017414-83-3)
  • 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: 1017414-83-3(Hazardous Substances Data)

1017414-83-3 Usage

Uses

Used in Pharmaceutical Synthesis:
5-(4-chlorophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid is used as a key intermediate in the synthesis of pharmaceutical drugs. Its unique structure and functional groups contribute to the development of new therapeutic agents with potential applications in various medical fields.
Used in Medicinal Research:
In the field of medicinal research, 5-(4-chlorophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid is used as a research tool to study the biological activities of pyrrole derivatives. Its anti-inflammatory and analgesic properties make it a valuable compound for investigating the mechanisms of action and potential therapeutic applications in treating inflammatory and pain-related conditions.
Used in Drug Discovery:
5-(4-chlorophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid plays a role in drug discovery, where it may be employed to identify novel therapeutic agents with improved efficacy and safety profiles. Its potential medicinal properties and versatile chemical structure make it a promising candidate for the development of innovative drugs targeting various diseases and disorders.
Used in Chemical Research:
In the realm of chemical research, 5-(4-chlorophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid serves as a model compound for studying the synthesis, reactivity, and properties of pyrrole derivatives. Its unique structure allows researchers to explore the influence of different functional groups and substituents on the compound's chemical behavior and potential applications in various industries.
Overall, 5-(4-chlorophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid is a versatile chemical compound with significant potential in pharmaceutical synthesis, medicinal research, drug discovery, and chemical research. Its unique structure and functional groups contribute to its diverse applications and make it an important compound for further exploration and development in the scientific community.

Check Digit Verification of cas no

The CAS Registry Mumber 1017414-83-3 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,1,7,4,1 and 4 respectively; the second part has 2 digits, 8 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 1017414-83:
(9*1)+(8*0)+(7*1)+(6*7)+(5*4)+(4*1)+(3*4)+(2*8)+(1*3)=113
113 % 10 = 3
So 1017414-83-3 is a valid CAS Registry Number.

1017414-83-3Downstream Products

1017414-83-3Relevant articles and documents

Synthesis, Antiviral Potency, in Vitro ADMET, and X-ray Structure of Potent CD4 Mimics as Entry Inhibitors That Target the Phe43 Cavity of HIV-1 gp120

Curreli, Francesca,Kwon, Young Do,Belov, Dmitry S.,Ramesh, Ranjith R.,Kurkin, Alexander V.,Altieri, Andrea,Kwong, Peter D.,Debnath, Asim K.

, p. 3124 - 3153 (2017/04/21)

In our attempt to optimize the lead HIV-1 entry antagonist, NBD-11021, we present in this study the rational design and synthesis of 60 new analogues and determination of their antiviral activity in a single-cycle and a multicycle infection assay to derive a comprehensive structure-activity relationship (SAR). Two of these compounds, NBD-14088 and NBD-14107, showed significant improvement in antiviral activity compared to the lead entry antagonist in a single-cycle assay against a large panel of Env-pseudotyped viruses. The X-ray structure of a similar compound, NBD-14010, confirmed the binding mode of the newly designed compounds. The in vitro ADMET profiles of these compounds are comparable to that of the most potent attachment inhibitor BMS-626529, a prodrug of which is currently undergoing phase III clinical trials. The systematic study presented here is expected to pave the way for improving the potency, toxicity, and ADMET profile of this series of compounds with the potential to be moved to the early preclinical development.

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