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1-((4-Bromophenyl)(phenyl)methyl)pyrrolidine is a chemical compound characterized by a pyrrolidine ring with phenyl, bromophenyl, and phenylmethyl substituents. It is recognized for its potential in organic synthesis and pharmaceutical research, serving as a versatile building block for the creation of various drugs and biologically active compounds. The incorporation of a bromophenyl group endows the compound with enhanced biological activity, while the phenylmethyl group offers a functional group for further chemical modifications, making it a promising candidate in drug discovery and development.

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  • 1280786-96-0 Structure
  • Basic information

    1. Product Name: 1-((4-Bromophenyl)(phenyl)methyl)pyrrolidine
    2. Synonyms: 1-((4-Bromophenyl)(phenyl)methyl)pyrrolidine;1-Bromo-4-(1-phenyl-1-pyrrolidinomethyl)benzene
    3. CAS NO:1280786-96-0
    4. Molecular Formula: C17H18BrN
    5. Molecular Weight: 316.23552
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1280786-96-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 381.7±27.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.328±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. PKA: 8.68±0.20(Predicted)
    10. CAS DataBase Reference: 1-((4-Bromophenyl)(phenyl)methyl)pyrrolidine(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1-((4-Bromophenyl)(phenyl)methyl)pyrrolidine(1280786-96-0)
    12. EPA Substance Registry System: 1-((4-Bromophenyl)(phenyl)methyl)pyrrolidine(1280786-96-0)
  • 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: 1280786-96-0(Hazardous Substances Data)

1280786-96-0 Usage

Uses

Used in Pharmaceutical Research:
1-((4-Bromophenyl)(phenyl)methyl)pyrrolidine is used as a building block for the synthesis of various drugs and biologically active compounds, leveraging its structural features and reactivity to contribute to the development of novel therapeutic agents.
Used in Organic Synthesis:
In the field of organic synthesis, 1-((4-Bromophenyl)(phenyl)methyl)pyrrolidine is utilized as a key intermediate, facilitating the construction of complex molecular architectures and the synthesis of target molecules with desired properties.
Used in Medicinal Chemistry:
1-((4-Bromophenyl)(phenyl)methyl)pyrrolidine is employed as a starting material in medicinal chemistry, where the bromine atom can be used to improve the biological activity of molecules, and the phenylmethyl group allows for further chemical modifications to optimize pharmacokinetic and pharmacodynamic properties.
Used in Drug Discovery:
1-((4-Bromophenyl)(phenyl)methyl)pyrrolidine is utilized in drug discovery processes, where its unique structural elements and reactivity are harnessed to identify and develop new drug candidates with potential therapeutic applications across various disease areas.

Check Digit Verification of cas no

The CAS Registry Mumber 1280786-96-0 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,8,0,7,8 and 6 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 1280786-96:
(9*1)+(8*2)+(7*8)+(6*0)+(5*7)+(4*8)+(3*6)+(2*9)+(1*6)=190
190 % 10 = 0
So 1280786-96-0 is a valid CAS Registry Number.

1280786-96-0SDS

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 1-((4-Bromophenyl)(phenyl)methyl)pyrrolidine

1.2 Other means of identification

Product number -
Other names 1-[(4-bromophenyl)-phenylmethyl]pyrrolidine

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:1280786-96-0 SDS

1280786-96-0Downstream Products

1280786-96-0Relevant articles and documents

Synthesis and biological evaluation of 1‐(Diarylmethyl)‐1h‐1,2,4‐triazoles and 1‐(diarylmethyl)‐1h‐imidazoles as a novel class of anti‐mitotic agent for activity in breast cancer

Ana, Gloria,Kelly, Patrick M.,Malebari, Azizah M.,Noorani, Sara,Nathwani, Seema M.,Twamley, Brendan,Fayne, Darren,O’boyle, Niamh M.,Zisterer, Daniela M.,Pimentel, Elisangela Flavia,Endringer, Denise Coutinho,Meegan, Mary J.

, p. 1 - 59 (2021/03/16)

We report the synthesis and biochemical evaluation of compounds that are designed as hybrids of the microtubule targeting benzophenone phenstatin and the aromatase inhibitor letrozole. A preliminary screening in estrogen receptor (ER)‐positive MCF‐7 breast cancer cells identified 5‐((2H‐1,2,3‐triazol‐1‐yl)(3,4,5‐trimethoxyphenyl)methyl)‐2‐methoxyphenol 24 as a potent antiproliferative compound with an IC50 value of 52 nM in MCF‐7 breast cancer cells (ER+/PR+) and 74 nM in triple‐negative MDA‐MB‐231 breast cancer cells. The compounds demonstrated significant G2/M phase cell cycle arrest and induction of apoptosis in the MCF‐7 cell line, inhibited tubulin polymerisation, and were selective for cancer cells when evaluated in non-tumorigenic MCF‐10A breast cells. The immunofluorescence staining of MCF‐7 cells confirmed that the compounds targeted tubulin and induced multinucleation, which is a recognised sign of mitotic catastrophe. Computational docking studies of compounds 19e, 21l, and 24 in the colchicine binding site of tubulin indicated potential binding conformations for the compounds. Compounds 19e and 21l were also shown to selectively inhibit aromatase. These compounds are promising candidates for development as antiproliferative, aromatase inhibitory, and microtubule‐disrupting agents for breast cancer.

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