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891859-12-4,MFCD28502037
Catalog No.:AA00IFIP

891859-12-4 | Ceralifimod

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥95%
in stock  
$46.00   $32.00
- +
5mg
≥95%
in stock  
$133.00   $93.00
- +
10mg
≥95%
in stock  
$199.00   $139.00
- +
25mg
in stock  
$360.00   $252.00
- +
50mg
92%
in stock  
$612.00   $429.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00IFIP
Chemical Name:
Ceralifimod
CAS Number:
891859-12-4
Molecular Formula:
C27H33NO4
Molecular Weight:
435.5552
MDL Number:
MFCD28502037
SMILES:
CCCc1ccc(c(c1)OC)COc1ccc2c(c1)CCC(=C2C)CN1CC(C1)C(=O)O
Properties
Computed Properties
 
Complexity:
671  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
9  
XLogP3:
2.1  

Downstream Synthesis Route
891859-12-4   
1-({6-(2-methoxy-4-propylbenzyl)oxy-1-methyl-3,4-dihydro-2-naphthalenyl}methyl)-3-azetidinecarboxylicacidmonohydrate 

[1]CurrentPatentAssignee:ONOPHARMACEUTICALCOLTD-WO2006/64757,2006,A1Locationinpatent:Page/Pagecolumn132-134

891859-12-4   
1-({6-(2-methoxy-4-propylbenzyl)oxy-1-methyl-3,4-dihydro-2-naphthalenyl}methyl)-3-azetidinecarboxylicacidhydrochloride 

[1]CurrentPatentAssignee:ONOPHARMACEUTICALCOLTD-WO2006/64757,2006,A1Locationinpatent:Page/Pagecolumn135

891859-12-4   
1-({6-(2-methoxy-4-propylbenzyl)oxy-1-methyl-3,4-dihydro-2-naphthalenyl}methyl)-3-azetidinecarboxylicacidsodiumsalt 

[1]CurrentPatentAssignee:ONOPHARMACEUTICALCOLTD-WO2006/64757,2006,A1Locationinpatent:Page/Pagecolumn136

891859-12-4   
rel-1-({(1R,2R)-6-(2-methoxy-4-propylbenzyl)oxy-1-methyl-1,2,3,4-tetrahydro-2-naphthalenyl}methyl)-3-azetidinecarboxylicacid 

[1]CurrentPatentAssignee:ONOPHARMACEUTICALCOLTD-WO2006/64757,2006,A1Locationinpatent:Page/Pagecolumn139

Literature

Title: The prediction of human response to ONO-4641, a sphingosine 1-phosphate receptor modulator, from preclinical data based on pharmacokinetic-pharmacodynamic modeling.

Journal: Biopharmaceutics & drug disposition 20101001

Title: Komiya T, et al. Efficacy and immunomodulatory actions of ONO-4641, a novel selective agonist for sphingosine 1-phosphate receptors 1 and 5, in preclinical models of multiple sclerosis. Clin Exp Immunol. 2013 Jan;171(1):54-62.

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SDS
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