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Home Other Building Blocks 1415716-58-3
1415716-58-3,MFCD29472234
Catalog No.:AA009CHO

1415716-58-3 | TG6-10-1

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$11.00   $8.00
- +
5mg
98%
in stock  
$25.00   $18.00
- +
10mg
98%
in stock  
$36.00   $25.00
- +
25mg
98%
in stock  
$61.00   $43.00
- +
50mg
98%
in stock  
$103.00   $72.00
- +
  • 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:
AA009CHO
Chemical Name:
TG6-10-1
CAS Number:
1415716-58-3
Molecular Formula:
C23H23F3N2O4
Molecular Weight:
448.4349
MDL Number:
MFCD29472234
SMILES:
COc1cc(/C=C/C(=O)NCCn2c3ccccc3cc2C(F)(F)F)cc(c1OC)OC
Properties
Computed Properties
 
Complexity:
631  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
8  
XLogP3:
4.2  

Upstream Synthesis Route

[1]JournalofMedicinalChemistry,2014,vol.57,#10,p.4173-4184

[2]Patent:WO2015/167825,2015,A1,.Locationinpatent:Page/Pagecolumn102

[1]JournalofMedicinalChemistry,2014,vol.57,#10,p.4173-4184

[2]JournalofMedicinalChemistry,2014,vol.57,#10,p.4173-4184

[3]Patent:WO2015/167825,2015,A1,

[1]JournalofMedicinalChemistry,2014,vol.57,#10,p.4173-4184

[2]JournalofMedicinalChemistry,2014,vol.57,#10,p.4173-4184

[3]Patent:WO2015/167825,2015,A1,

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2014,vol.57,p.4173-4184

[2]JournalofMedicinalChemistry,2014,vol.57,p.4173-4184

[3]Patent:WO2015/167825,2015,A1

Literature

Title: Development of second generation EP2 antagonists with high selectivity.

Journal: European journal of medicinal chemistry 20140723

Title: Isolation of streptococcal nuclease B by batch adsorption.

Journal: Journal of clinical microbiology 19751201

Title: Jiang J, et al. Inhibition of the prostaglandin receptor EP2 following status epilepticus reduces delayed mortality and brain inflammation. Proc Natl Acad Sci U S A. 2013 Feb 26;110(9):3591-3596.

Title: Kang X, et al. Cyclooxygenase-2 contributes to oxidopamine-mediated neuronal inflammation and injury via the prostaglandin E2 receptor EP2 subtype. Sci Rep. 2017 Aug 25;7(1):9459.

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SDS
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Tags:1415716-58-3 Molecular Formula|1415716-58-3 MDL|1415716-58-3 SMILES|1415716-58-3 TG6-10-1