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4-[[4-[(4-BROMO-2,6-DIMETHYLPHENYL)AMINO]-2-PYRIDIDINYL]AMINO]-BENZONITRILE is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 4-({4-[(4-Bromo-2,6-dimethylphenyl)amino]pyrimidin-2-yl}amino)benzonitrile

    Cas No: 374067-85-3

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  • 374067-85-3 Structure
  • Basic information

    1. Product Name: 4-[[4-[(4-BROMO-2,6-DIMETHYLPHENYL)AMINO]-2-PYRIDIDINYL]AMINO]-BENZONITRILE
    2. Synonyms: 4-[[4-[(4-BROMO-2,6-DIMETHYLPHENYL)AMINO]-2-PYRIDIDINYL]AMINO]-BENZONITRILE;Despropenenitrile BroMo Rilpivirine;4-[[4-[(4-BroMo-2,6-diMethylphenyl)aMino]-2-pyriMidinyl]aMino]-benzonitrile;Despropenenitrile Bromo Rilpivirin
    3. CAS NO:374067-85-3
    4. Molecular Formula: C19H16BrN5
    5. Molecular Weight: 394.27
    6. EINECS: N/A
    7. Product Categories: Aromatics;Heterocycles;Inhibitors;Intermediates & Fine Chemicals;Pharmaceuticals
    8. Mol File: 374067-85-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 578.3°Cat760mmHg
    3. Flash Point: 303.5°C
    4. Appearance: /
    5. Density: 1.48g/cm3
    6. Vapor Pressure: 2.27E-13mmHg at 25°C
    7. Refractive Index: 1.684
    8. Storage Temp.: -20°C Freezer
    9. Solubility: Acetonitrile (Very Slightly), DMSO (Slightly), Methanol (Slightly)
    10. CAS DataBase Reference: 4-[[4-[(4-BROMO-2,6-DIMETHYLPHENYL)AMINO]-2-PYRIDIDINYL]AMINO]-BENZONITRILE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-[[4-[(4-BROMO-2,6-DIMETHYLPHENYL)AMINO]-2-PYRIDIDINYL]AMINO]-BENZONITRILE(374067-85-3)
    12. EPA Substance Registry System: 4-[[4-[(4-BROMO-2,6-DIMETHYLPHENYL)AMINO]-2-PYRIDIDINYL]AMINO]-BENZONITRILE(374067-85-3)
  • 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: 374067-85-3(Hazardous Substances Data)

374067-85-3 Usage

Chemical Properties

Pale Yellow Solid

Uses

Rilpivirine (R509800) derivative.

Check Digit Verification of cas no

The CAS Registry Mumber 374067-85-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,7,4,0,6 and 7 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 374067-85:
(8*3)+(7*7)+(6*4)+(5*0)+(4*6)+(3*7)+(2*8)+(1*5)=163
163 % 10 = 3
So 374067-85-3 is a valid CAS Registry Number.
InChI:InChI=1/C19H16BrN5/c1-12-9-15(20)10-13(2)18(12)24-17-7-8-22-19(25-17)23-16-5-3-14(11-21)4-6-16/h3-10H,1-2H3,(H2,22,23,24,25)

374067-85-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-[[4-(4-bromo-2,6-dimethylanilino)pyrimidin-2-yl]amino]benzonitrile

1.2 Other means of identification

Product number -
Other names Despropenenitrile Bromo Rilpivirine

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:374067-85-3 SDS

374067-85-3Relevant articles and documents

Method for preparing high-purity ribavirin intermediate by one-pot method (by machine translation)

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Paragraph 0014; 0051-0053; 0060-0062, (2020/12/14)

The invention relates to the technical field of chemical medicine, in particular to a method for preparing a high-purity ribavirin intermediate by a one-pot method. The method comprises the following steps: (1) replacing the compound I with the compound II to obtain the reaction liquid of the compound III. (2) Acrylamide was added to III reaction liquid of the compound, and the reaction liquid of compound IV was obtained under Heck reaction conditions. (3) In the reaction solution of Compound IV, activated carbon is first added for decolorization treatment, and then a poor solvent is added for crystallization to obtain a white compound IV, i.e. a ripe intermediate. The method for preparing the high-purity ribavirin intermediate by one-pot method is scientific, reasonable, simple and feasible, improves product purity and yield, and is suitable for large-scale production. (by machine translation)

Discovery of biphenyl-substituted diarylpyrimidines as non-nucleoside reverse transcriptase inhibitors with high potency against wild-type and mutant HIV-1

Jin, KaiJun,Yin, Hong,De Clercq, Erik,Pannecouque, Christophe,Meng, Ge,Chen, FenEr

, p. 726 - 734 (2018/01/26)

A novel series of diarylpyrimidine (DAPY) derivatives bearing the biphenyl motif with multiple substituted groups was synthesized as human immunodeficiency virus (HIV)-1 non-nucleoside reverse transcriptase inhibitors. All of the target compounds were evaluated for their in vitro activity against HIV in MT-4 cells. Most of the compounds exhibited excellent activity with low nanomolar EC50 values against wild-type, single and double mutant HIV-1 strains. Compound 4b displayed an EC50 value of 1 nM against HIV-1 IIIB, 1.3 nM against L100I, 0.84 nM against K103 N, 1.5 nM against Y181C, 11 nM against Y188L, 2 nM against E138K, 10 nM against K103 N + Y181C, and almost 110 nM against F227L + V106. The improvement in the selectivity and potency of the target molecules against the wild-type and mutant HIV-1 strains validated our hypothesis. The biphenyl ring in the DAPY derivatives could strengthen the π-π stacking effect between the target molecule and the non-nucleoside inhibitor-binding pocket in the reverse transcriptase by extending the conjugating systems. This research represented a significant step toward the discovery of novel therapeutic DAPYs for treating acquired immunodeficiency syndrome in patients infected with HIV-1.

Pharmaceutical compositions comprising a basic drug compound, a surfactant, and a physiologically tolerable water soluble acid

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Page/Page column 64-65, (2015/12/04)

The invention provides a novel pharmaceutical composition comprising a basic respectively acidic drug compound, a surfactant and a physiologically tolerable water-soluble acid respectively base characterized in that the acid respectively base:drug compound ratio is at least 1:1 by weight.

Synthesis of novel diarylpyrimidine analogues and their antiviral activity against human immunodeficiency virus type 1

Guillemont, Jerome,Pasquier, Elisabeth,Palandjian, Patrice,Vernier, Daniel,Gaurrand, Sandrine,Lewi, Paul J.,Heeres, Jan,De Jonge, Marc R.,Koymans, Lucien M. H.,Daeyaert, Frits F. D.,Vinkers, Maarten H.,Arnold, Eddy,Das, Kalyan,Pauwels, Rudi,Andries, Koen,De Béthune, Marie-Pierre,Bettens, Eva,Hertogs, Kurt,Wigerinck, Piet,Timmerman, Philip,Janssen, Paul A. J.

, p. 2072 - 2079 (2007/10/03)

This paper reports the synthesis and the antiviral properties of new diarylpyrimidine (DAPY) compounds as nonnucleoside reverse transcriptase inhibitors (NNRTIs). The synthesis program around this new DAPY series was further optimized to produce compounds displaying improved activity against a panel of eight clinically relevant single and double mutant strains of human immunodeficiency virus type 1 (HIV-1).

PROCESSES FOR THE PREPARATION OF 4-[[4-[[4-(2-CYANOETHENYL)-2,6-DIMETHYLPHENYL]AMINO]-2-PYRIMIDINYL]AMINO]BENZONITRILE

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Page 20-21, (2008/06/13)

Processes for the preparation of 4-[[4-[[4-(2-cyanoethenyl)-2,6-dimethylphenyl]amino]-2-pyrimidinyl]amino]benzonitrile of formula (I), a N-oxide, a pharmaceutically acceptable acid addition salt, a quaternary amine or a stereochemically isomeric form thereof are provided, said processes comprise a) reacting 4-(2-cyanoethenyl)-2,6-dimethylbenzenamine with an intermediate of formula (III) in the presence of a suitable solvent; b) reacting an intermediate of formula (IV) with acrylonitrile in the presence of a suitable palladium catalyst, a suitable base and a suitable solvent; c) dehydrating the corresponding amide of the compound of formula (I).

Evolution of anti-HIV drug candidates. Part 3: Diarylpyrimidine (DAPY) analogues

Ludovici, Donald W.,De Corte, Bart L.,Kukla, Michael J.,Ye, Hong,Ho, Chih Y.,Lichtenstein, Mark A.,Kavash, Robert W.,Andries, Koen,De Bethune, Marie-Pierre,Azijn, Hilde,Pauwels, Rudi,Lewi, Paul J.,Heeres, Jan,Koymans, Lucien M.H.,De Jonge, Marc R.,Van Aken, Koen J.A.,Daeyaert, Frederik F.D.,Das, Kalyan,Arnold, Edward,Janssen, Paul A.J.

, p. 2235 - 2239 (2007/10/03)

The synthesis and anti-HIV-1 activity of a series of diarylpyrimidines (DAPYs) are described. Several members of this novel class of non-nucleoside reverse transcriptase inhibitors (NNRTIs) are extremely potent against both wild-type and a panel of clinically significant single- and double-mutant strains of HIV-1.

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