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Home Other Building Blocks 1206123-37-6
1206123-37-6,MFCD28502134
Catalog No.:AA003AGA

1206123-37-6 | Etrasimod

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥95%
in stock  
$63.00   $44.00
- +
5mg
≥95%
in stock  
$262.00   $183.00
- +
10mg
≥95%
in stock  
$459.00   $321.00
- +
25mg
≥95%
in stock  
$989.00   $692.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003AGA
Chemical Name:
Etrasimod
CAS Number:
1206123-37-6
Molecular Formula:
C26H26F3NO3
Molecular Weight:
457.4847
MDL Number:
MFCD28502134
SMILES:
OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1
Properties
Computed Properties
 
Complexity:
695  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
6  
XLogP3:
6.4  

Literature

Title: Discovery of APD334: Design of a Clinical Stage Functional Antagonist of the Sphingosine-1-phosphate-1 Receptor.

Journal: ACS medicinal chemistry letters 20141211

Title: P2Y(1) and P2Y(2) receptors are coupled to the NO/cGMP pathway to vasodilate the rat arterial mesenteric bed.

Journal: British journal of pharmacology 20020701

Title: Buzard DJ, et al. Discovery of APD334: Design of a Clinical Stage Functional Antagonist of the Sphingosine-1-phosphate-1 Receptor. ACS Med Chem Lett. 2014 Nov 4;5(12):1313-7.

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