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Home Other Building Blocks 280749-17-9
280749-17-9,MFCD19690958
Catalog No.:AA00BJOF

280749-17-9 | A 286982

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
≥98%
in stock  
$139.00   $97.00
- +
10mg
≥98%
in stock  
$222.00   $155.00
- +
25mg
≥98%
in stock  
$448.00   $313.00
- +
50mg
98% by HPLC
in stock  
$761.00   $533.00
- +
100mg
98% by HPLC
in stock  
$1,270.00   $889.00
- +
200mg
>98% (or refer to the Certificate of Analysis)
in stock  
$2,290.00   $1,603.00
- +
500mg
98% by HPLC
in stock  
$3,958.00   $2,771.00
- +
1000mg
98% by HPLC
in stock  
$6,295.00   $4,407.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00BJOF
Chemical Name:
A 286982
CAS Number:
280749-17-9
Molecular Formula:
C24H27N3O4S
Molecular Weight:
453.5539
MDL Number:
MFCD19690958
SMILES:
O=C(N1CCN(CC1)C(=O)C)/C=C/c1ccc(c(c1)[N+](=O)[O-])Sc1ccccc1C(C)C
Properties
Computed Properties
 
Complexity:
700  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
5  
XLogP3:
4.1  

Literature

Title: Discovery of tetrahydroisoquinoline (THIQ) derivatives as potent and orally bioavailable LFA-1/ICAM-1 antagonists.

Journal: Bioorganic & medicinal chemistry letters 20100901

Title: Discovery of novel p-arylthio cinnamides as antagonists of leukocyte function-associated antigen-1/intercellular adhesion molecule-1 interaction. 4. Structure-activity relationship of substituents on the benzene ring of the cinnamide.

Journal: Journal of medicinal chemistry 20011206

Title: Discovery of potent antagonists of leukocyte function-associated antigen-1/intercellular adhesion molecule-1 interaction. 3. Amide (C-ring) structure-activity relationship and improvement of overall properties of arylthio cinnamides.

Journal: Journal of medicinal chemistry 20010830

Title: Novel p-arylthio cinnamides as antagonists of leukocyte function-associated antigen-1/intracellular adhesion molecule-1 interaction. 2. Mechanism of inhibition and structure-based improvement of pharmaceutical properties.

Journal: Journal of medicinal chemistry 20010412

Title: Discovery of novel p-arylthio cinnamides as antagonists of leukocyte function-associated antigen-1/intracellular adhesion molecule-1 interaction. 1. Identification of an additional binding pocket based on an anilino diaryl sulfide lead.

Journal: Journal of medicinal chemistry 20001019

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