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2,5-DIMETHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE-3-CARBALDEHYDE is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 2,5-DIMETHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE-3-CARBALDEHYDE

    Cas No: 256529-25-6

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  • 256529-25-6 Structure
  • Basic information

    1. Product Name: 2,5-DIMETHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE-3-CARBALDEHYDE
    2. Synonyms: 2,5-DIMETHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE-3-CARBALDEHYDE;AKOS BB-3014
    3. CAS NO:256529-25-6
    4. Molecular Formula: C14H12F3NO
    5. Molecular Weight: 267.25
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 256529-25-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 343.0±42.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.20±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: -6.04±0.70(Predicted)
    10. CAS DataBase Reference: 2,5-DIMETHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE-3-CARBALDEHYDE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 2,5-DIMETHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE-3-CARBALDEHYDE(256529-25-6)
    12. EPA Substance Registry System: 2,5-DIMETHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE-3-CARBALDEHYDE(256529-25-6)
  • 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: 256529-25-6(Hazardous Substances Data)

256529-25-6 Usage

Molecular Structure

2,5-DIMETHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE-3-CARBALDEHYDE consists of a pyrrole core structure with two methyl groups and a trifluoromethylphenyl group as substituents.

Functional Groups

The chemical contains both aldehyde and aromatic functional groups, which contribute to its reactivity and potential applications in organic synthesis.

Use in Synthesis

It is commonly used as a building block in organic synthesis and pharmaceutical research for the development of various compounds.

Potential Hazards

This chemical should be handled with care due to its potential to cause irritation and harmful effects if not used properly.

Application Range

The presence of multiple functional groups makes this compound valuable in the development of a wide range of organic compounds, including pharmaceuticals and other organic materials.

Check Digit Verification of cas no

The CAS Registry Mumber 256529-25-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,5,6,5,2 and 9 respectively; the second part has 2 digits, 2 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 256529-25:
(8*2)+(7*5)+(6*6)+(5*5)+(4*2)+(3*9)+(2*2)+(1*5)=156
156 % 10 = 6
So 256529-25-6 is a valid CAS Registry Number.

256529-25-6Downstream Products

256529-25-6Relevant articles and documents

A New FXR Ligand Chemotype with Agonist/Antagonist Switch

Helmst?dter, Moritz,Vietor, Jan,Sommer, Jana,Schierle, Simone,Willems, Sabine,Kaiser, Astrid,Schmidt, Jurema,Merk, Daniel

supporting information, p. 267 - 274 (2021/02/20)

Therapeutic modulation of the bile acid-sensing transcription factor farnesoid X receptor (FXR) is an appealing strategy to counteract hepatic and metabolic diseases. Despite the availability of several highly potent FXR agonists structural diversity of FXR modulators is limited, and new ligand scaffolds are needed. Here we report structure-activity relationship elucidation of a new FXR modulator chemotype whose activity can be tuned between agonism and antagonism by two minor structural modifications. Starting from a weak FXR/PPAR agonist, we have developed selective FXR activators and antagonists with nanomolar to low-micromolar potencies and binding affinities. The new FXR ligand chemotype modulates the FXR activity in the native cellular setting, is endowed with favorable metabolic stability, and lacks cytotoxicity. It valuably expands the collection of FXR modulators as a new scaffold for FXR-targeted drug discovery.

Synthesis, structure and in vitro anti-trypanosomal activity of non-toxic arylpyrrole-based chalcone derivatives

Hoppe, Heinrich C.,Isaacs, Michelle,Khanye, Setshaba D.,Kruger, Cuan,Oderinlo, Ogunyemi O.,Smith, Vincent J.,Veale, Clinton G. L.,Zulu, Ayanda I.

supporting information, (2020/04/10)

With an intention of identifying chalcone derivatives exhibiting anti-protozoal activity, a cohort of relatively unexplored arylpyrrole-based chalcone derivatives were synthesized in moderate to good yields. The resultant compounds were evaluated in vitro for their potential activity against a cultured Trypanosoma brucei brucei 427 strain. Several compounds displayed mostly modest in vitro anti-trypanosomal activity with compounds 10e and 10h emerging as active candidates with IC50 values of 4.09 and 5.11 μM, respectively. More importantly, a concomitant assessment of their activity against a human cervix adenocarcinoma (HeLa) cell line revealed that these compounds are non-toxic.

ANDROGEN RECEPTOR ANTAGONISTS

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Paragraph 0221-0222, (2019/08/26)

Compounds that inhibit the androgen receptor, pharmaceutical compositions comprising one or more of the compounds, as well as methods of treating cancer using such compounds are described.

Discovery and optimisation studies of antimalarial phenotypic hits

Mital, Alka,Murugesan, Dinakaran,Kaiser, Marcel,Yeates, Clive,Gilbert, Ian H.

supporting information, p. 530 - 538 (2015/10/12)

There is an urgent need for the development of new antimalarial compounds. As a result of a phenotypic screen, several compounds with potent activity against the parasite Plasmodium falciparum were identified. Characterization of these compounds is discussed, along with approaches to optimise the physicochemical properties. The in vitro antimalarial activity of these compounds against P. falciparum K1 had EC50 values in the range of 0.09e29 mM, and generally good selectivity (typically >100-fold) compared to a mammalian cell line (L6). One example showed no significant activity against a rodent model of malaria, and more work is needed to optimise these compounds.

Discovery and structure-activity relationships of pyrrolone antimalarials

Murugesan, Dinakaran,Mital, Alka,Kaiser, Marcel,Shackleford, David M.,Morizzi, Julia,Katneni, Kasiram,Campbell, Michael,Hudson, Alan,Charman, Susan A.,Yeates, Clive,Gilbert, Ian H.

supporting information, p. 2975 - 2990 (2013/05/23)

In the pursuit of new antimalarial leads, a phenotypic screening of various commercially sourced compound libraries was undertaken by the World Health Organisation Programme for Research and Training in Tropical Diseases (WHO-TDR). We report here the detailed characterization of one of the hits from this process, TDR32750 (8a), which showed potent activity against Plasmodium falciparum K1 (EC50 ~ 9 nM), good selectivity (>2000-fold) compared to a mammalian cell line (L6), and significant activity against a rodent model of malaria when administered intraperitoneally. Structure-activity relationship studies have indicated ways in which the molecule could be optimized. This compound represents an exciting start point for a drug discovery program for the development of a novel antimalarial.

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