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1087-26-9,MFCD00051936
Catalog No.:AA007C0D

1087-26-9 | Hexyl 3,4,5-trihydroxybenzoate

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25mg
95%
1 week  
$93.00   $65.00
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50mg
95%
1 week  
$108.00   $76.00
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100mg
95%
1 week  
$131.00   $92.00
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200mg
95%
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$182.00   $128.00
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500mg
95%
1 week  
$267.00   $187.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA007C0D
Chemical Name:
Hexyl 3,4,5-trihydroxybenzoate
CAS Number:
1087-26-9
Molecular Formula:
C13H18O5
Molecular Weight:
254.2790
MDL Number:
MFCD00051936
SMILES:
CCCCCCOC(=O)c1cc(O)c(c(c1)O)O
Properties
Computed Properties
 
Complexity:
244  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
7  
XLogP3:
3.2  

Downstream Synthesis Route

[1]Rivero-Buceta,Eva;Carrero,Paula;Doyagüez,ElisaG.;Madrona,Andrés;Quesada,Ernesto;Camarasa,MaríaJosé;Peréz-Pérez,MaríaJesús;Leyssen,Pieter;Paeshuyse,Jan;Balzarini,Jan;Neyts,Johan;San-Félix,Ana[EuropeanJournalofMedicinalChemistry,2015,vol.92,p.656-671]

[2]CurrentPatentAssignee:HUNANNORMALUNIVERSITY-CN105294433,2016,ALocationinpatent:Paragraph0033

[3]Paramita,RafikaIndah;Arsianti,Ade;Radji,Maksum[OrientalJournalofChemistry,2018,vol.34,#1,p.295-300]

[4]Savi,LucianeA.;Leal,PauloC.;Vieira,TiagoO.;Rosso,Rober;Nunes,RicardoJ.;Yunes,RosendoA.;Creczynski-Pasa,TaniaB.;Barardi,CeliaR.M.;Simoes,ClaudiaMariaOliveira[Arzneimittel-Forschung/DrugResearch,2005,vol.55,#1,p.66-75]

[5]Kubo,Isao;Xiao,Ping;Nihei,Ken-Ichi;Fujita,Ken-Ichi;Yamagiwa,Yoshiro;Kamikawa,Tadao[JournalofAgriculturalandFoodChemistry,2002,vol.50,#14,p.3992-3998]

[6]Kubo,Isao;Fujita,Ken-Ichi;Nihei,Ken-Ichi[JournalofAgriculturalandFoodChemistry,2002,vol.50,#23,p.6692-6696]

[7]Kubo,Isao;Kinst-Hori,Ikuyo;Kubo,Yumi;Yamagiwa,Yoshiro;Kamikawa,Tadao;Haraguchi,Hiroyuki[JournalofAgriculturalandFoodChemistry,2000,vol.48,#4,p.1393-1399]

[8]Arsianti,Ade;Astuty,Hendri;Fadilah;Simadibrata,DanielMartin;Adyasa,ZoyaMarie;Amartya,Daniel;Bahtiar,Anton;Tanimoto,Hiroki;Kakiuchi,Kiyomi[OrientalJournalofChemistry,2018,vol.34,#2,p.655-662]

[9]Cheng,Kui;Wang,Xiaohui;Zhang,Shuting;Yin,Hang[AngewandteChemie-InternationalEdition,2012,vol.51,#49,p.12246-12249][Angew.Chem.,2012,vol.124,#49,p.12412-12415,4]

[10]Russell;Tebbens[JournaloftheAmericanChemicalSociety,1942,vol.64,p.2274,2275]

[11]Locationinpatent:bodytextBarla,Florin;Higashijima,Hayato;Funai,Shingo;Sugimoto,Keiichiro;Harada,Naoki;Yamaji,Ryoichi;Fujita,Tomoyuki;Nakano,Yoshihisa;Inui,Hiroshi[Bioscience,BiotechnologyandBiochemistry,2009,vol.73,#10,p.2335-2337]

[12]FlausinoJr.,O.A.;Dufau,L.;Reboud-Ravaux,M.;Regasini,L.O.;Petronio,M.S.;Silva,D.H.S.;Bolzani,V.S.;Rose,T.[CurrentMedicinalChemistry,2012,vol.19,#26,p.4534-4540,7]

[13]Ito,Shinsaku;Nakagawa,Yasutaka;Yazawa,Satoru;Sasaki,Yasuyuki;Yajima,Shunsuke[BioorganicandMedicinalChemistryLetters,2014,vol.24,#7,p.1812-1814]

[14]Bertoldo,JeanBorges;Chiaradia-Delatorre,LouiseDomeneghini;Mascarello,Alessandra;Leal,PauloCésar;Cordeiro,MarlonNorbertoSechini;Nunes,RicardoJosé;Sarduy,EmirSalas;Rosenthal,PhilipJon;Terenzi,Hernán[JournalofEnzymeInhibitionandMedicinalChemistry,2015,vol.30,#2,p.299-307]

[1]Cheng,Kui;Wang,Xiaohui;Zhang,Shuting;Yin,Hang[AngewandteChemie-InternationalEdition,2012,vol.51,#49,p.12246-12249][Angew.Chem.,2012,vol.124,#49,p.12412-12415,4]

Literature

Title: Relation between lipophilicity of alkyl gallates and antifungal activity against yeasts and filamentous fungi.

Journal: Bioorganic & medicinal chemistry letters 20090315

Title: Antiproliferative and apoptosis-inducing activities of alkyl gallate and gallamide derivatives related to (-)-epigallocatechin gallate.

Journal: Bioorganic & medicinal chemistry 20080901

Title: Anti-HSV-1 and anti-HIV-1 activity of gallic acid and pentyl gallate.

Journal: Memorias do Instituto Oswaldo Cruz 20080801

Title: Molecular design of antifungal agents.

Journal: Journal of agricultural and food chemistry 20020703

Title: Anti-MRSA activity of alkyl gallates.

Journal: Bioorganic & medicinal chemistry letters 20020121

Title: Kim B, et al. Differential effects of alkyl gallates on quorum sensing in Pseudomonas aeruginosa. Sci Rep. 2019;9(1):7741. Published 2019 May 23.

Title: Ade Arsianti, et al. Synthesis and in vitro antimalarial activity of alkyl esters of gallate as a growth inhibitor of plasmodium falciparum. Oriental Journal of Chemistry, 34(2), 655-662.

Title: Cavalca LB, et al. Hexyl gallate for the control of citrus canker caused by Xanthomonas citri subsp citri [published online ahead of print, 2020 Aug 6 Microbiologyopen. 2020;e1104.

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Tags:1087-26-9 Molecular Formula|1087-26-9 MDL|1087-26-9 SMILES|1087-26-9 Hexyl 3,4,5-trihydroxybenzoate