+1 858-523-8231
Login | Register
AA Blocks, Building Blocks, Catalysts, Inhibitors
Login | Register
Home Other Building Blocks 170571-00-3
170571-00-3,MFCD08063645
Catalog No.:AA00AE3S

170571-00-3 | HYDROXYMETHYL CELECOXIB

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
≥95%
in stock  
$105.00   $73.00
- +
10mg
≥95%
in stock  
$166.00   $116.00
- +
25mg
≥95%
in stock  
$283.00   $198.00
- +
50mg
≥95%
in stock  
$513.00   $359.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00AE3S
Chemical Name:
HYDROXYMETHYL CELECOXIB
CAS Number:
170571-00-3
Molecular Formula:
C17H14F3N3O3S
Molecular Weight:
397.3716
MDL Number:
MFCD08063645
SMILES:
OCc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)N)C(F)(F)F
Properties
Computed Properties
 
Complexity:
595  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
2.2  

Literature

Title: Diazen-1-ium-1,2-diolated nitric oxide donor ester prodrugs of 5-(4-hydroxymethylphenyl)-1-(4-aminosulfonylphenyl)-3-trifluoromethyl-1H-pyrazole and its methanesulfonyl analog: synthesis, biological evaluation and nitric oxide release studies.

Journal: Bioorganic & medicinal chemistry 20081115

Title: Estimation of binding affinities for celecoxib analogues with COX-2 via Monte Carlo-extended linear response.

Journal: Bioorganic & medicinal chemistry letters 20020211

Title: Rationale for the observed COX-2/COX-1 selectivity of celecoxib from Monte Carlo simulations.

Journal: Bioorganic & medicinal chemistry letters 20010618

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Related Products of 170571-00-3
162054-19-5

162054-19-5

 170569-88-7

170569-88-7

 169590-41-4

169590-41-4

 170570-01-1

170570-01-1

 170571-01-4

170571-01-4

 170569-86-5

170569-86-5
Building Blocks
More >
Tags:170571-00-3 Molecular Formula|170571-00-3 MDL|170571-00-3 SMILES|170571-00-3 HYDROXYMETHYL CELECOXIB