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4-Chloro-7-methoxy-2-phenylquinoline is a chemical compound belonging to the quinoline family, characterized by the molecular formula C16H11ClNO. It features a quinoline ring with a chlorine atom and a methoxy group attached, as well as a phenyl group. The structural features and potential biological activities of this compound make it a promising candidate for pharmaceuticals and medicinal chemistry. The presence of chloro and methoxy groups may affect its pharmacokinetic and pharmacodynamic properties, warranting further research to explore its potential uses and properties in the development of new drugs and therapeutic agents.

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  • 189816-05-5 Structure
  • Basic information

    1. Product Name: 4-Chloro-7-methoxy-2-phenylquinoline
    2. Synonyms: 4-Chloro-7-methoxy-2-phenylquinoline
    3. CAS NO:189816-05-5
    4. Molecular Formula: C16H12ClNO
    5. Molecular Weight: 269.73
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 189816-05-5.mol
  • Chemical Properties

    1. Melting Point: 96-99°C
    2. Boiling Point: 414.285 °C at 760 mmHg
    3. Flash Point: 204.353 °C
    4. Appearance: liquid
    5. Density: 1.237
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.638
    8. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    9. Solubility: N/A
    10. PKA: 3.46±0.27(Predicted)
    11. CAS DataBase Reference: 4-Chloro-7-methoxy-2-phenylquinoline(CAS DataBase Reference)
    12. NIST Chemistry Reference: 4-Chloro-7-methoxy-2-phenylquinoline(189816-05-5)
    13. EPA Substance Registry System: 4-Chloro-7-methoxy-2-phenylquinoline(189816-05-5)
  • 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: 189816-05-5(Hazardous Substances Data)

189816-05-5 Usage

Uses

Used in Pharmaceutical Industry:
4-Chloro-7-methoxy-2-phenylquinoline is used as a chemical intermediate for the synthesis of various pharmaceutical compounds due to its unique structural features and potential biological activities.
Used in Medicinal Chemistry:
4-Chloro-7-methoxy-2-phenylquinoline is used as a lead compound in the discovery and development of new drugs and therapeutic agents, as its structural features may contribute to its pharmacological properties and potential therapeutic effects.
Further research is necessary to fully understand the potential applications and properties of 4-Chloro-7-methoxy-2-phenylquinoline in the pharmaceutical and medicinal chemistry fields, as well as to optimize its pharmacokinetic and pharmacodynamic properties for effective drug development.

Check Digit Verification of cas no

The CAS Registry Mumber 189816-05-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,8,9,8,1 and 6 respectively; the second part has 2 digits, 0 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 189816-05:
(8*1)+(7*8)+(6*9)+(5*8)+(4*1)+(3*6)+(2*0)+(1*5)=185
185 % 10 = 5
So 189816-05-5 is a valid CAS Registry Number.
InChI:InChI=1/C16H12ClNO/c1-19-12-7-8-13-14(17)10-15(18-16(13)9-12)11-5-3-2-4-6-11/h2-10H,1H3

189816-05-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Chloro-7-methoxy-2-phenylquinoline

1.2 Other means of identification

Product number -
Other names 2-phenyl-4-chloro-7-methoxy-quinoline

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:189816-05-5 SDS

189816-05-5Relevant articles and documents

Hepatitis C Virus Inhibitors

-

Page/Page column 27-28, (2009/12/02)

Hepatitis C virus inhibitors having the general formula are disclosed. Compositions comprising the compounds and methods for using the compounds to inhibit HCV are also disclosed.

NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION

-

, (2009/10/31)

The embodiments provide compounds of the general Formulae I, II, III, IV, V, VI, VII, and X, as well as compositions, including pharmaceutical compositions, comprising a subject compound. The embodiments further provide treatment methods, including methods of treating a hepatitis C virus infection and methods of treating liver fibrosis, the methods generally involving administering to an individual in need thereof an effective amount of a subject compound or composition.

Discovery of novel, potent and bioavailable proline-urea based macrocyclic HCV NS3/4A protease inhibitors

Vendeville, Sandrine,Nilsson, Magnus,Kock, Herman de,Lin, Tse-I,Antonov, Dmitry,Classon, Bjoern,Ayesa, Susana,Ivanov, Vladimir,Johansson, Per-Ola,Kahnberg, Pia,Eneroth, Anders,Wikstrom, Kristina,Vrang, Lotta,Edlund, Michael,Lindstroem, Stefan,Vreken, Wim Van de,McGowan, David,Tahri, Abdellah,Hu, Lili,Lenz, Oliver,Delouvroy, Frederic,Dooren, Marleen Van,Kindermans, Natalie,Surleraux, Dominique,Wigerinck, Piet,Rosenquist, Asa,Samuelsson, Bertil,Simmen, Kenneth,Raboisson, Pierre

scheme or table, p. 6189 - 6193 (2009/08/07)

A novel series of P3-truncated macrocyclic HCV NS3/4A protease inhibitors containing a P2 proline-urea or carbamate scaffold was synthesized. Very potent inhibitors were obtained through the optimization of the macrocycle size, urea and proline substitution, and bioisosteric replacement of the P1 carboxylic acid moiety. Variation of the lipophilicity by introduction of small lipophilic substituents resulted in improved PK profiles, ultimately leading to compound 13Bh, an extremely potent (Ki = 0.1 nM, EC50 = 4.5 nM) and selective (CC50 (Huh-7 cells) > 50 μM) inhibitor, displaying an excellent PK profile in rats characterized by an oral bioavailability of 54% and a high liver exposure after oral administration.

Hepatitis C virus inhibitors

-

Page/Page column 33-34, (2008/06/13)

The present disclosure is generally directed to antiviral compounds, and more specifically directed to compounds which inhibit the function of the NS3 protease (also referred to herein as “serine protease”) encoded by Hepatitis C virus (HCV), compositions comprising such compounds, and methods for inhibiting the function of the NS3 protease.

Substituted cycloalkyl P1' hepatitis C virus inhibitors

-

Page/Page column 20, (2010/02/06)

The present invention relates to tripeptide compounds, compositions and methods for the treatment of hepatitis C virus (HCV) infection. In particular, the present invention provides novel tripeptide analogs, pharmaceutical compositions containing such analogs and methods for using these analogs in the treatment of HCV infection.

Hepatitis C inhibitor peptides

-

, (2008/06/13)

Disclosed herein are hepatitis C viral protease inhibitors of formula (I): wherein a is0or1; b is0or1; Y is H or C1-6alkyl; B is H, an acyl derivative or a sulfonyl derivative; R6, when present, is C1-6alkyl substituted wi

HETEROCYCLICSULFONAMIDE HEPATITIS C VIRUS INHIBITORS

-

Page 47, (2010/02/05)

The present invention relates to tripeptide compounds, compositionscontaining such compounds and methods for using such compounds for the treatment of heptitis C virus (HCV) infection. In particular, the present invention provides novel tripeptide analogs, pharmaceutical compositionscontaining such analogs and methods for using these analogs in the treatment of HCV infection.

Enzymatic resolution of 1-amino-2-vinylcyclopropyl caboxylic acid methyl ester

-

, (2008/06/13)

An enantiomeric-resolving process for obtaining (1R,2S)-1-amino-2-vinylcyclopropyl carboxylic acid methyl ester by use of an esterase, and especially Alcalase?, is disclosed.

Discovery of a novel class of selective non-peptide antagonists for the human neurokinin-3 receptor. 1. Identification of the 4-quinolinecarboxamide framework

Giardina, Giuseppe A. M.,Sarau, Henry M.,Farina, Carlo,Medhurst, Andrew D.,Grugni, Mario,Raveglia, Luca F.,Schmidt, Dulcie B.,Rigolio, Roberto,Luttmann, Mark,Vecchietti, Vittorio,Hay, Douglas W. P.

, p. 1794 - 1807 (2007/10/03)

A novel class of potent and selective non-peptide neurokinin-3 (NK-3) receptor antagonists, featuring the 4-quinolinecarboxamide framework, has been designed based upon chemically diverse NK-1 receptor antagonists. The novel compounds 33-76, prompted by chemical modifications of the prototype 4, have been characterized by binding analysis using a membrane preparation of chinese hamster ovary (CHO) cells expressing the human neurokinin-3 receptors (hNK-3-CHO), and clear structure-activity relationships (SARs) have been established. From SARs, (R)-N-[α-(methoxycarbonyl)benzyl]-2- phenylquinoline-4-carboxamide (65, SB 218795, hNK-3-CHO binding K(i) = 13 nM) emerged as one of the most potent compounds of this novel class. Selectivity studies versus the other neurokinin receptors (hNK-2-CHO and hNK-1-CHO) revealed that 65 is about 90-fold selective for hNK-3 versus hNK-2 receptors (hNK-2-CHO binding K(i) = 1221 nM) and over 7000-fold selective versus hNK-1 receptors (hNK-1-CHO binding K(i) = >100 μM). In vitro functional studies in rabbit isolated iris sphincter muscle preparation demonstrated that 65 is a competitive antagonist of the contractile response induced by the potent and selective NK-3 receptor agonist senktide with a K(b) = 43 nM. Overall, the data indicate that 65 is a potent and selective hNK-3 receptor antagonist and a useful lead for further chemical optimization.

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