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CAS

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226226-39-7

N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamidehydrochloride is a complex organic compound with a chemical structure that includes a pyrrolidine ring, a benzamide group, and a trifluoromethyl group. It is characterized by its unique molecular arrangement and functional groups, which may contribute to its potential applications in various fields.

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  • N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamidehydrochloride

    Cas No: 226226-39-7

  • USD $ 10.0-10.0 / Milligram

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  • 226226-39-7 Structure

  • Basic information

    1. Product Name: N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamidehydrochloride
    2. Synonyms: N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamidehydrochloride;Teijin compound 1;Teijin compound 1 hydrochloride;N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxo-ethyl]-3-(trifluoromethyl)benzamide
    3. CAS NO:226226-39-7
    4. Molecular Formula: C21H21CIF3O2.HCl
    5. Molecular Weight: 476
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 226226-39-7.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 597.9±50.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: white to tan/
    5. Density: 1.37±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: Desiccate at +4°C
    8. Solubility: DMSO: ≥20mg/mL
    9. PKA: 12.94±0.46(Predicted)
    10. CAS DataBase Reference: N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamidehydrochloride(CAS DataBase Reference)
    11. NIST Chemistry Reference: N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamidehydrochloride(226226-39-7)
    12. EPA Substance Registry System: N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamidehydrochloride(226226-39-7)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 226226-39-7(Hazardous Substances Data)

226226-39-7 Usage

Uses

Used in Pharmaceutical Industry:
N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamidehydrochloride is used as a chemokine receptor, CCR2, inhibitor for reducing sarcoma cell transendothelial migration and metastasis to the lungs. Its ability to inhibit the chemokine receptor may help in the development of treatments for various types of cancer, particularly sarcoma.

Check Digit Verification of cas no

The CAS Registry Mumber 226226-39-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,2,6,2,2 and 6 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 226226-39:
(8*2)+(7*2)+(6*6)+(5*2)+(4*2)+(3*6)+(2*3)+(1*9)=117
117 % 10 = 7
So 226226-39-7 is a valid CAS Registry Number.

226226-39-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name N-(2-{[(3R)-1-(4-Chlorobenzyl)-3-pyrrolidinyl]amino}-2-oxoethyl)- 3-(trifluoromethyl)benzamide hydrochloride (1:1)

1.2 Other means of identification

Product number -
Other names -

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:226226-39-7 SDS

226226-39-7Downstream Products

226226-39-7Relevant articles and documents

Small molecule antagonists of the CCR2b receptor. Part 2: Discovery process and initial structure-activity relationships of diamine derivatives

Moree, Wilna J.,Kataoka, Ken-Ichiro,Ramirez-Weinhouse, Michele M.,Shiota, Tatsuki,Imai, Minoru,Sudo, Masaki,Tsutsumi, Takaharu,Endo, Noriaki,Muroga, Yumiko,Hada, Takahiko,Tanaka, Hiroko,Morita, Takuya,Greene, Jonathan,Barnum, Doug,Saunders, John,Kato, Yoshinori,Myers, Peter L.,Tarby, Christine M.

, p. 5413 - 5416 (2007/10/03)

A lead evolution process is described that utilized the SAR of a homopiperazine series for the discovery of alternative cyclic diamine derivatives as nanomolar inhibitors of the interaction between MCP-1 and the CCR2b receptor. Structure-activity relationships (SAR) of a weakly active class of CCR2b inhibitors were utilized to initiate a lead evolution program employing the Drug Discovery Engine. Several alternative structural series have been discovered that display nanomolar activity in the CCR2b binding and CCR2b-mediated chemotaxis assays.

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