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Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate is a complex organic chemical compound characterized by its unique molecular structure. It features an ethyl group, a 3,5-dihydroxy-7-heptenoate group, and a cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl group. Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate may hold potential pharmaceutical applications due to its distinctive structural attributes, and it could be instrumental in the development of novel drugs or serve as a valuable research tool. Further scientific research and testing are required to explore its specific properties and potential uses.

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  • Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate, Pitavastatin Intermediate K6, 172336-32-2

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  • 172336-32-2 Structure
  • Basic information

    1. Product Name: Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate
    2. Synonyms: ETHYL (E)-3,5-DIHYDROXY-7-[2-CYCLOPROPYL-4-(4-FLUOROPHENYL)-3-QUINOLINYL]-HEPT-6-ENOATE;(3R,5S)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid ethyl ester;Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-flurophenyl)-3-quinolinyl]-hept-6-enoate;Ethy(E)-3,5-dihydroxy-7-[2-cycloproyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate;Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoater;ethyl (6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate;(3R,5S)-Ethyl 7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate;(3R,5S,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl) quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid ethyl ester
    3. CAS NO:172336-32-2
    4. Molecular Formula: C27H28FNO4
    5. Molecular Weight: 449.51
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 172336-32-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 670.412 °C at 760 mmHg
    3. Flash Point: 359.252 °C
    4. Appearance: /
    5. Density: 1.271
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.639
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. PKA: 13.79±0.20(Predicted)
    11. CAS DataBase Reference: Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate(CAS DataBase Reference)
    12. NIST Chemistry Reference: Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate(172336-32-2)
    13. EPA Substance Registry System: Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate(172336-32-2)
  • 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: 172336-32-2(Hazardous Substances Data)

172336-32-2 Usage

Uses

Used in Pharmaceutical Industry:
Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate is used as a potential pharmaceutical compound for its unique molecular structure, which may contribute to the development of new drugs. Its specific application in drug development would be determined by ongoing research and testing, focusing on its potential therapeutic effects and mechanisms of action.
Used in Research and Development:
In the field of scientific research, Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate serves as a research tool to explore its chemical properties, interactions with biological systems, and potential applications in various therapeutic areas. Its use in research is crucial for understanding its full potential and for identifying any possible side effects or limitations in its application.

Check Digit Verification of cas no

The CAS Registry Mumber 172336-32-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,2,3,3 and 6 respectively; the second part has 2 digits, 3 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 172336-32:
(8*1)+(7*7)+(6*2)+(5*3)+(4*3)+(3*6)+(2*3)+(1*2)=122
122 % 10 = 2
So 172336-32-2 is a valid CAS Registry Number.
InChI:InChI=1/C27H28FNO4/c1-2-33-25(32)16-21(31)15-20(30)13-14-23-26(17-9-11-19(28)12-10-17)22-5-3-4-6-24(22)29-27(23)18-7-8-18/h3-6,9-14,18,20-21,30-31H,2,7-8,15-16H2,1H3/b14-13+

172336-32-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name Ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-hept-6-enoate

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 -
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More Details:172336-32-2 SDS

172336-32-2Relevant articles and documents

METHOD FOR PRODUCING PITAVASTATIN CALCIUM

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Paragraph 0228; 0229; 0230, (2018/08/25)

Production of pitavastatin calcium safely on an industrial scale with a high yield and high selectivity at low cost. A method of producing pitavastatin calcium including step (i) for acetalizing a compound represented by the formula (1) to give a compound represented by the formula (3), step (ii) for reacting a compound represented by the formula (3) with an acid to give a compound represented by the formula (4), and step (iii) for hydrolyzing a compound represented by the formula (4) and reacting same with a calcium compound.

Virtual screening and experimental validation identify novel modulators of nuclear receptor RXRα from Drugbank database

Xu, Dan,Cai, Lijun,Guo, Shangjie,Xie, Lei,Yin, Meimei,Chen, Ziwen,Zhou, Hu,Su, Ying,Zeng, Zhiping,Zhang, Xiaokun

, p. 1055 - 1061 (2017/09/30)

Retinoid X receptor alpha (RXRα), an important ligand-dependent transcription factor, plays a critical role in the development of various cancers and metabolic and neurodegenerative diseases. Therefore, RXRα represents one of the most important targets in modern drug discovery. In this study, Drugbank 2.0 with 1280 old drugs were virtually screened by Glide according to the crystal structure of ligand-binding domain (LBP) of RXRα. 15 compounds selected were tested for their binding and transcriptional activity toward RXRα by Biacore and reporter gene assay, respectively. The identified new scafford ligand of RXRα, Pitavastatin (1), was chemically optimized. Our results demonstrated that statin compounds Pitavastatin (1) and Fluvastatin (4) could bind to the LBP of RXRα (KD = 13.30 μM and 11.04 μM, respectively) and serve as transcriptional antagonists of RXRα. On the contrary, compound (12) (domperidone) and (13) (rosiglitazone maleate) could bind to the LBP of RXRα (KD = 8.80 μM and 15.01 μM, respectively) but serve as transcriptional agonists of RXRα.

A pitavastatin calcium bulk drug intermediate preparation method

-

, (2017/08/25)

The invention discloses a preparing method for a pitavastatin calcium bulk drug intermediate. The intermediate is (+/-) E-6-[2- cyclopropyl-4-(4-fluorophenyl)-quinoline-3-phenyl vinyl]-4-hydroxy-3,4,5,6-tetralin-valerolactone. The method comprises the ste

PROCESS FOR PREPARING QUINOLINE DERIVATIVE

-

, (2012/11/06)

The present invention relates to a novel process for preparing Pitavastatin calcium salt of formula (I).

Process for producing (3R,5S)-(E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-quinolin- 3-yl]-3, 5-dihydroxyhept-6-enic acid esters

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Page 14-15, (2010/02/05)

A process for producing a compound represented by the following formula (IV): (wherein R denotes a hydrogen atom, an alkyl group, or an aryl group), comprising reducing a compound selected from the group consisting of: a compound represented by the following formula (I): (wherein R is as defined in the formula); a compound represented by the following formula (II): (wherein R is as defined in the formula); and a compound represented by the following formula (III): (wherein R is as defined in the formula), by reacting the compound with a cell of a microorganism and/or a cell preparation thereof capable of stereo-selectively reducing a keto group.

METHOD FOR PREPARING 7-QUINOLINYL-3,5-DIHYDROXYHEPT-6-ENOATE

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Page 6-7, (2008/06/13)

A method for preparing a 7-quinolynyl-3,5-dihydroxyhept-6-enoate useful as an intermediate for pharmaceuticals, in high yield and in high purity, is presented. It is a method for preparing a 7-quinolinyl-3,5-dihydroxyhept-6-enoate represented by the formu

Process for the manufacture of organic compounds

-

Page 13, (2010/02/03)

The invention relates to a process for the manufacture of a compound of formula or a salt, especially a pharmaceutically acceptable salt with a base, thereof or a lactone thereof wherein the element represents —CH2—CH2— or —CH═CH— an

Process for the manufacture of organic compounds

-

Page/Page column 9, (2008/06/13)

A method for preparing an alkali metal salt comprising: (a) condensing a disilyloxydiene with an aldehyde in the presence of a titanium (IV) catalyst in an inert solvent to form a 5(S)-hydroxy-3-ketoester; (b) reducing the 5(S)-hydroxy-3-ketoester to a 3(

Synthesis and biological evaluations of quinoline-based HMG-CoA reductase inhibitors

Suzuki,Iwasaki,Fujikawa,Kitahara,Sakashita,Sakoda

, p. 2727 - 2743 (2007/10/03)

A series of quinoline-based 3,5-dihydroxyheptenoic acid derivatives were synthesized from quinolinecarboxylic acid esters by homologation, aldol condensation with ethyl acetoacetate dianion, and reduction of 3-hydroxyketone to evaluate their ability to inhibit the enzyme HMG-CoA reductase in vitro. In agreement with previous literature, a strict structural requirement exists on the external ring, and 4-fluorophenyl is the most active in this system. For the central ring, substitution on positions 6, 7, and 8 of the central quinoline nucleus moderately affected the potency, whereas the alkyl side chain on the 2-position had a more pronounced influence on activity. Among the derivatives, NK-104 (pitavastatin calcium), which has a cyclopropyl group as the alkyl side chain, showed the greatest potency. We found that further modulation and improvement in potency at inhibiting HMG-CoA reductase was obtained by having the optimal substituents flanking the desmethylmevalonic acid portion, that is, 4-fluorophenyl and cyclopropyl, instead of the usual isopropyl group.

Enantioselective addition of diketene to aldehydes promoted by chiral Schiff base-titanium alkoxide complex. Application to asymmetric synthesis of potential inhibitors of HMG coenzyme reductase

Hayashi, Masahiko,Yoshimoto, Kazuya,Hirata, Naohito,Tanaka, Kiyoshi,Oguni, Nobuki,Harada, Katsumasa,Matsushita, Akio,Kawachi, Yasuhiro,Sasaki, Hiroshi

, p. 241 - 246 (2007/10/03)

Highly enantioselective addition of diketene to aldehydes was achieved by using novel Schiff base-titanium alkoxide complexes. Up to 92% ee of 5-hydroxy-3-oxoesters was obtained. This procedure provides an efficient method for the asymmetric synthesis of potential inhibitors of HMG coenzyme reductase.

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