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86-99-7,MFCD00006778
Catalog No.:AA003NC4

86-99-7 | 7-Chloroquinolin-4(1h)-one

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5g
95%
in stock  
$11.00   $8.00
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10g
95%
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$18.00   $13.00
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500g
95%
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$758.00   $531.00
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003NC4
Chemical Name:
7-Chloroquinolin-4(1h)-one
CAS Number:
86-99-7
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
MDL Number:
MFCD00006778
SMILES:
Clc1ccc2c(c1)nccc2O
NSC Number:
38928
Properties
Properties
 
BP:
302.8°C at 760 mmHg  
Form:
Solid  
MP:
276-279 °C(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
227  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
XLogP3:
1.2  

Upstream Synthesis Route

[1]TetrahedronLetters,2009,vol.50,#35,p.4989-4993

[2]TetrahedronLetters,2010,vol.51,#12,p.1562-1565

[1]Patent:WO2016/22956,2016,A1,.Locationinpatent:Page/Pagecolumn30

[2]JournalofOrganicChemistry,2007,vol.72,#6,p.2232-2235

[3]Patent:WO2010/30722,2010,A1,.Locationinpatent:Page/Pagecolumn44-45

[4]OrganicLetters,2018,vol.20,#4,p.1195-1199

[1]Patent:US5596002,1997,A,

[1]JournalofOrganicChemistry,2007,vol.72,#6,p.2232-2235

[2]JournalofHeterocyclicChemistry,1997,vol.34,#1,p.315-320

[1]BioorganicandMedicinalChemistryLetters,2019,vol.29,#1,p.97-102

Downstream Synthesis Route

[1]Patent:US4412076,1983,A

[2]Patent:US2558211,1949,

[1]Theeraladanon,Chumpol;Arisawa,Mitsuhiro;Nishida,Atsushi;Nakagawa,Masako[Tetrahedron,2004,vol.60,#13,p.3017-3035]

[2]CurrentPatentAssignee:CHONGQINGMEDICALPHARMACEUTICALCOLLEGE-CN111362872,2020,ALocationinpatent:Paragraph0020;0027-0028;0029;0036-0036;0038;0045-0046

[3]CurrentPatentAssignee:EXELIXISINC-WO2006/108059,2006,A1Locationinpatent:Page/Pagecolumn94

[4]CurrentPatentAssignee:EXELIXISINC-WO2005/30140,2005,A2Locationinpatent:Page/Pagecolumn213

[5]Shruthi;Eswaran,Sumesh;Shivarudraiah,Prasad;Narayanan,Shridhar;Subramanian,Sangeetha[BioorganicandMedicinalChemistryLetters,2019,vol.29,#1,p.97-102]

[6]CurrentPatentAssignee:FOUNDATIONFORNEGLECTEDDISEASERES-WO2019/243971,2019,A1Locationinpatent:Page/Pagecolumn17

[7]Chouhan;Ananthabhat,SudarshanaK.;Vaidya,Sandeep;Srihari[SyntheticCommunications,2022,vol.52,#7,p.1004-1011]

[8]CurrentPatentAssignee:CHONGQINGMEDICALPHARMACEUTICALCOLLEGE-CN111747890,2020,ALocationinpatent:Paragraph0035-0040

[9]Eswaran,Sumesh;Shruthi,T.G.;Subramanian,Sangeetha[HeterocyclicCommunications,2020,vol.26,#1,p.137-147]

[10]Andersag[ChemischeBerichte,1948,vol.81,p.499,505]Surrey;Hammer[JournaloftheAmericanChemicalSociety,1946,vol.68,p.113,115]Price;Roberts[JournaloftheAmericanChemicalSociety,1946,vol.68,p.1204,1206][OrganicSyntheses,1955,vol.Coll.Vol.III,p.272]

[11]De;Byers;Krogstad[JournalofHeterocyclicChemistry,1997,vol.34,#1,p.315-320]

[12]Madrid,PeterB.;Sherrill,John;Liou,AllyP.;Weisman,JenniferL.;DeRisi,JosephL.;Guy,R.Kiplin[BioorganicandMedicinalChemistryLetters,2005,vol.15,#4,p.1015-1018]

[13]Bhagat,Shweta;Arfeen,Minhajul;Das,Gourav;Ramkumar,Mridula;Khan,ShabanaI.;Tekwani,BabuL.;Bharatam,PrasadV.[BioorganicChemistry,2019,vol.91]

[14]CurrentPatentAssignee:TSINGHUATONGFANGCO.,LTD-CN110627716,2019,ALocationinpatent:Paragraph0023-0026

[1]CurrentPatentAssignee:CENTREINTERNATIONALDERECHERCHEAUXFRONTIERESDELACHIMIE;INOVIEMSCIENTIFIC;UNIVERSITYOFSTRASBOURG;CENTRENATIONALDELARECHERCHESCIENTIFIQUE-US2019/62278,2019,A1Locationinpatent:Paragraph0255-0257

[2]CurrentPatentAssignee:GOVERNMENTOFTHEUNITEDSTATES;OREGONHEALTH&SCIENCEUNIVERSITY-WO2013/106847,2013,A1Locationinpatent:Paragraph0059

[3]Surrey;Cutler[JournaloftheAmericanChemicalSociety,1946,vol.68,p.2570,2573]

[1]JournalofMedicinalChemistry,2016,vol.59,p.264-281

[2]Patent:WO2018/165385,2018,A1.Locationinpatent:Paragraph00351

[3]JustusLiebigsAnnalenderChemie,1955,vol.593,p.91,109

[4]Patent:WO2003/97641,2003,A2.Locationinpatent:Page/Pagecolumn54

[5]Patent:WO2019/133770,2019,A2.Locationinpatent:Paragraph001184;001185;001186

[1]Locationinpatent:experimentalpartHirner,JoshuaJ.;Zacuto,MichaelJ.[TetrahedronLetters,2009,vol.50,#35,p.4989-4993]

[2]Hess,Ulrich;Zabel,Lutz;Baizer,ManuelM.[ZeitschriftfurChemie,1984,vol.24,#4,p.151-152]

[3]Cutler;Surrey[JournaloftheAmericanChemicalSociety,1950,vol.72,p.3394]

[4]Terzić,Natasa;Konstantinović,Jelena;Tot,Mikloš;Burojević,Jovana;Djurković-Djaković,Olgica;Srbljanović,Jelena;Štajner,Tijana;Verbić,Tatjana;Zlatović,Mario;Machado,Marta;Albuquerque,InêsS.;Prudêncio,Miguel;Sciotti,RichardJ.;Pecic,Stevan;D'Alessandro,Sarah;Taramelli,Donatella;Šolaja,BogdanA.[JournalofMedicinalChemistry,2016,vol.59,#1,p.264-281]

[5]Held,Jana;Moita,Diana;PessanhadeCarvalho,Lais;Poje,Goran;Vianello,Robert;Perković,Ivana;Prudêncio,Miguel;Rajić,Zrinka;Tandarić,Tana[EuropeanJournalofMedicinalChemistry,2022,vol.238]

[6]Held,Jana;Moita,Diana;PessanhadeCarvalho,Lais;Poje,Goran;Vianello,Robert;Perković,Ivana;Prudêncio,Miguel;Rajić,Zrinka;Tandarić,Tana[EuropeanJournalofMedicinalChemistry,2022,vol.238]

Literature

Title: Auto-Induction Effect of Chloroxoquinoline on the Cytochrome P450 Enzymes of Rats Associated with CYP 3A and 1A.

Journal: PloS one 20150101

Title: Chloroxoquinoline in combination with epirubicin, cisplatin and 5-fluorouracil in metastatic gastric cancer.

Journal: Hepato-gastroenterology 20090101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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Tags:86-99-7 Molecular Formula|86-99-7 MDL|86-99-7 SMILES|86-99-7 7-Chloroquinolin-4(1h)-one |Halogenated_Heterocycles