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923287-50-7,MFCD19443745
Catalog No.:AA00GU2C

923287-50-7 | Opicapone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$38.00   $26.00
- +
5mg
≥98%
in stock  
$110.00   $77.00
- +
10mg
≥98%
in stock  
$146.00   $102.00
- +
25mg
≥98%
in stock  
$320.00   $224.00
- +
100mg
98+%
in stock  
$575.00   $403.00
- +
250mg
98+%
in stock  
$860.00   $602.00
- +
1g
98+%
in stock  
$2,133.00   $1,494.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00GU2C
Chemical Name:
Opicapone
CAS Number:
923287-50-7
Molecular Formula:
C15H10Cl2N4O6
Molecular Weight:
413.1691
MDL Number:
MFCD19443745
SMILES:
OC1=C/C(=c/2\o[nH]c(n2)c2c(C)c(Cl)c([n+](c2Cl)[O-])C)/C=C(C1=O)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
557  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.4  

Literature

Title: Opicapone as an adjunct to levodopa in patients with Parkinson's disease and end-of-dose motor fluctuations: a randomised, double-blind, controlled trial.

Journal: The Lancet. Neurology 20160201

Title: A fragment-based approach to identifying S-adenosyl-l-methionine -competitive inhibitors of catechol O-methyl transferase (COMT).

Journal: Journal of medicinal chemistry 20140626

Title: Discovery of a long-acting, peripherally selective inhibitor of catechol-O-methyltransferase.

Journal: Journal of medicinal chemistry 20100422

Title: Bonifácio MJ, et al. Pharmacological profile of Opicapone, a third-generation nitrocatechol catechol-O-methyl transferase inhibitor, in the rat. Br J Pharmacol. 2015 Apr;172(7):1739-52.

Title: Ferreira JJ, et al. Opicapone as an adjunct to L-DOPA in patients with Parkinson's disease and end-of-dose motor fluctuations: a randomised, double-blind, controlled trial. Lancet Neurol. 2016 Feb;15(2):154-165.

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SDS
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923287-50-7

923287-50-7
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Tags:923287-50-7 Molecular Formula|923287-50-7 MDL|923287-50-7 SMILES|923287-50-7 Opicapone
Catalog No.: AA00GU2C
923287-50-7,MFCD19443745
923287-50-7 | Opicapone
Pack Size： 1mg
Purity： ≥98%
in stock
$38.00 $26.00
Pack Size： 5mg
Purity： ≥98%
in stock
$110.00 $77.00
Pack Size： 10mg
Purity： ≥98%
in stock
$146.00 $102.00
Pack Size： 25mg
Purity： ≥98%
in stock
$320.00 $224.00
Pack Size： 100mg
Purity： 98+%
in stock
$575.00 $403.00
Pack Size： 250mg
Purity： 98+%
in stock
$860.00 $602.00
Pack Size： 1g
Purity： 98+%
in stock
$2,133.00 $1,494.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00GU2C
Chemical Name: Opicapone
CAS Number: 923287-50-7
Molecular Formula: C15H10Cl2N4O6
Molecular Weight: 413.1691
MDL Number: MFCD19443745
SMILES: OC1=C/C(=c/2\o[nH]c(n2)c2c(C)c(Cl)c([n+](c2Cl)[O-])C)/C=C(C1=O)[N+](=O)[O-]
Properties
Complexity: 557  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 27  
Hydrogen Bond Acceptor Count: 8  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.4  
Literature fold

Title: Opicapone as an adjunct to levodopa in patients with Parkinson's disease and end-of-dose motor fluctuations: a randomised, double-blind, controlled trial.

Journal: The Lancet. Neurology20160201

Title: A fragment-based approach to identifying S-adenosyl-l-methionine -competitive inhibitors of catechol O-methyl transferase (COMT).

Journal: Journal of medicinal chemistry20140626

Title: Discovery of a long-acting, peripherally selective inhibitor of catechol-O-methyltransferase.

Journal: Journal of medicinal chemistry20100422

Title: Bonifácio MJ, et al. Pharmacological profile of Opicapone, a third-generation nitrocatechol catechol-O-methyl transferase inhibitor, in the rat. Br J Pharmacol. 2015 Apr;172(7):1739-52.

Title: Ferreira JJ, et al. Opicapone as an adjunct to L-DOPA in patients with Parkinson's disease and end-of-dose motor fluctuations: a randomised, double-blind, controlled trial. Lancet Neurol. 2016 Feb;15(2):154-165.

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