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52804-26-9,MFCD00168197
Catalog No.:AA00DIBU

52804-26-9 | [4-(1-Adamantyl)phenoxy]acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$8.00   $6.00
- +
250mg
95%
in stock  
$15.00   $11.00
- +
1g
95%
in stock  
$41.00   $29.00
- +
  • 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:
AA00DIBU
Chemical Name:
[4-(1-Adamantyl)phenoxy]acetic acid
CAS Number:
52804-26-9
Molecular Formula:
C18H22O3
Molecular Weight:
286.3655
MDL Number:
MFCD00168197
SMILES:
OC(=O)COc1ccc(cc1)C12CC3CC(C2)CC(C1)C3
Properties
Computed Properties
 
Complexity:
367  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
4.9  

Upstream Synthesis Route

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,#22,p.6305-6310

[2]JournalofMedicinalChemistry,2007,vol.50,#7,p.1675-1684

[3]BioorganicandMedicinalChemistryLetters,2012,vol.22,#24,p.7456-7460

[4]BioorganicandMedicinalChemistryLetters,2010,vol.20,#4,p.1453-1456

[5]BulletinoftheKoreanChemicalSociety,2010,vol.31,#12,p.3826-3829

[6]JournalofOrganometallicChemistry,2013,vol.747,p.189-194

[7]JournalofMedicinalChemistry,2017,vol.60,#20,p.8631-8646

[1]JournalofMedicinalChemistry,2007,vol.50,#7,p.1675-1684

[2]BulletinoftheKoreanChemicalSociety,2010,vol.31,#12,p.3826-3829

[3]BioorganicandMedicinalChemistryLetters,2012,vol.22,#24,p.7456-7460

[4]BioorganicandMedicinalChemistryLetters,2013,vol.23,#11,p.3154-3156

[5]JournalofOrganometallicChemistry,2013,vol.747,p.189-194

[6]JournalofMedicinalChemistry,2017,vol.60,#20,p.8631-8646

[1]BioorganicandMedicinalChemistryLetters,2013,vol.23,#11,p.3154-3156

[1]JournalofOrganicChemistryUSSR(EnglishTranslation),1987,vol.23,#9,p.1672-1675

[2]ZhurnalOrganicheskoiKhimii,1987,vol.23,#9,p.1882-1886

[1]JournalofMedicinalChemistry,2007,vol.50,#7,p.1675-1684

[2]Patent:US2013/237542,2013,A1,.Locationinpatent:Paragraph0216;0217;0218

[3]Patent:US2009/306078,2009,A1,.Locationinpatent:Page/Pagecolumn26

[4]JournalofOrganometallicChemistry,2013,vol.747,p.189-194

[5]JournalofMedicinalChemistry,2014,vol.57,#22,p.9522-9538

[6]AngewandteChemie-InternationalEdition,2013,vol.52,#39,p.10286-10289

[7]Angew.Chem.,2013,vol.125,#39,p.10476-10479

[8]JournalofMedicinalChemistry,2017,vol.60,#20,p.8631-8646

Downstream Synthesis Route
52804-26-9    80213-28-1   
2-(4-adamantan-1-yl-phenoxy)-N-(3-methane-sulfonyl-phenyl)-acetamide 

[1]Patent:WO2008/4798,2008,A1.Locationinpatent:Page/Pagecolumn22

[2]Patent:US2009/306078,2009,A1.Locationinpatent:Page/Pagecolumn21

582-33-2    52804-26-9   
3-2-(4-adamantan-1-yl-phenoxy)-acetylamino-benzoicacidethylester 

[1]Patent:WO2008/4798,2008,A1.Locationinpatent:Page/Pagecolumn23;24

[2]Patent:US2009/306078,2009,A1.Locationinpatent:Page/Pagecolumn22

52804-26-9    52913-11-8   
{3-2-(4-adamantan-1-yl-phenoxy)-acetylamino-phenyl}-aceticacidmethylester 

[1]Patent:WO2008/4798,2008,A1.Locationinpatent:Page/Pagecolumn24

[2]Patent:US2009/306078,2009,A1.Locationinpatent:Page/Pagecolumn22

52804-26-9    99-27-4   
5-2-(4-adamantan-1-yl-phenoxy)-acetylamino-isophthalicaciddimethylester 

[1]Patent:WO2008/4798,2008,A1.Locationinpatent:Page/Pagecolumn25;26

[2]Patent:US2009/306078,2009,A1.Locationinpatent:Page/Pagecolumn23

52804-26-9    63746-12-3   
4-2-(4-Adamantan-1-yl-phenoxy)acetyl-amino-isophthalicaciddimethylester 

[1]Patent:WO2008/4798,2008,A1.Locationinpatent:Page/Pagecolumn31;32

[2]Patent:US2009/306078,2009,A1.Locationinpatent:Page/Pagecolumn27

Literature

Title: Small-molecule hydrophobic tagging-induced degradation of HaloTag fusion proteins.

Journal: Nature chemical biology 20110801

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SDS
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