Home Nitro Compounds 116313-94-1
116313-94-1,MFCD00866318
Catalog No.:AA000C4B

116313-94-1 | 3-(3,4-Dihydroxy-5-nitrobenzylidene)pentane-2,4-dione

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5mg
≥98%
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$105.00   $73.00
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10mg
≥98%
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$198.00   $138.00
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25mg
≥98%
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$412.00   $288.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000C4B
Chemical Name:
3-(3,4-Dihydroxy-5-nitrobenzylidene)pentane-2,4-dione
CAS Number:
116313-94-1
Molecular Formula:
C12H11NO6
Molecular Weight:
265.2188
MDL Number:
MFCD00866318
SMILES:
CC(=O)C(=Cc1cc(O)c(c(c1)[N+](=O)[O-])O)C(=O)C
Properties
Computed Properties
 
Complexity:
408  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
1.2  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1989,vol.32,p.841-846

[2]Patent:US4963590,1990,A

Literature

Title: Nitecapone reduces development and symptoms of neuropathic pain after spinal nerve ligation in rats.

Journal: European journal of pain (London, England) 20110801

Title: Inhibitors of catechol-O-methyltransferase sensitize mice to pain.

Journal: British journal of pharmacology 20101201

Title: Novel screening assay for antioxidant protection against peroxyl radical-induced loss of protein function.

Journal: Journal of pharmaceutical sciences 20071101

Title: Dopamine is metabolised by different enzymes along the rat nephron.

Journal: Pflugers Archiv : European journal of physiology 20050601

Title: Nitecapone and selegiline as effective adjuncts to L-DOPA in reserpine-induced catatonia in mice.

Journal: Methods and findings in experimental and clinical pharmacology 20020101

Title: D1-like dopamine receptor activation and natriuresis by nitrocatechol COMT inhibitors.

Journal: Kidney international 20010501

Title: Y J Suzuki, et al. Antioxidant properties of nitecapone (OR-462). Free Radic Biol Med. 1992 Nov;13(5):517-25.

Title: Marcocci L, et al. Nitecapone: a nitric oxide radical scavenger. Biochemistry and Molecular Biology International, 01 Oct 1994, 34(3):531-541.

Title: Oleg Kambur, et al. Nitecapone reduces development and symptoms of neuropathic pain after spinal nerve ligation in rats. Eur J Pain. 2011 Aug;15(7):732-40.

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Tags:116313-94-1 Molecular Formula|116313-94-1 MDL|116313-94-1 SMILES|116313-94-1 3-(3,4-Dihydroxy-5-nitrobenzylidene)pentane-2,4-dione