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116313-94-1

116313-94-1 structure
116313-94-1 structure
  • Name: Nitecapone
  • Chemical Name: 3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione
  • CAS Number: 116313-94-1
  • Molecular Formula: C12H11NO6
  • Molecular Weight: 265.21900
  • Catalog: Signaling Pathways Metabolic Enzyme/Protease COMT
  • Create Date: 2018-07-11 09:59:37
  • Modify Date: 2024-01-11 15:29:06
  • Nitecapone (OR-462) is an orally active and short-acting catechol-O-methyltransferase (COMT) inhibitor with gastroprotective and antioxidant properties. Nitecapone (OR-462) scavenges reactive oxygen and nitric radicals and prevents lipid peroxidation[1][2][3].
Name 3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione
Synonyms 3-(3,4-dihydroxy-5-nitrobenzylidene)-2,4-pentanedione
2,4-Pentanedione,3-((3,4-dihydroxy-5-nitrophenyl)methylene)
Nitecapone
3-(3,4-dihydroxy-5-nitrophenyl)methylene-2,4-pentanedione
Nitecapona [INN-Spanish]
Nitecapone [INN]
OR 462
Nitecaponum [INN-Latin]
Description Nitecapone (OR-462) is an orally active and short-acting catechol-O-methyltransferase (COMT) inhibitor with gastroprotective and antioxidant properties. Nitecapone (OR-462) scavenges reactive oxygen and nitric radicals and prevents lipid peroxidation[1][2][3].
Related Catalog
In Vitro Nitecapone (1-100 μM) reducesd GSH (reduced glutathione) depletion induced by ROO-by 11-38% and oxidation to oxidized glutathione (GSSG) by 32-45%[1].
In Vivo Nitecapone (30 mg/kg, ip daily for 13 days) reduces development and symptoms of neuropathic pain after spinal nerve ligation in rats[3]. Animal Model: Eighty-six male Wistar rats, weighing 140-350 g[3]. Dosage: 30 mg/kg (3.3 mL/kg). Administration: IP, once daily for 13 days. Result: Selectively and specifically inhibits COMT in the peripheral tissues, and to some extent in the CNS for ca. 3 h. Increased the thresholds for the mechanical stimuli and thus reduced mechanical allodynia. Reduced the number of positive reactions of the ipsilateral paws when compared with the baselines in the nitecapone-pretreated rats.
References

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

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

[3]. 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.
Density 1.451g/cm3
Boiling Point 495.3ºC at 760 mmHg
Molecular Formula C12H11NO6
Molecular Weight 265.21900
Flash Point 211.6ºC
Exact Mass 265.05900
PSA 120.42000
LogP 2.09060
Vapour Pressure 1.95E-10mmHg at 25°C
Index of Refraction 1.645

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SA1942500
CHEMICAL NAME :
2,4-Pentanedione, 3-((3,4-dihydroxy-5-nitrophenyl)methylene)-
CAS REGISTRY NUMBER :
116313-94-1
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C12-H11-N-O6
MOLECULAR WEIGHT :
265.24

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHTOEH Pharmacology and Toxicology (Copenhagen). (Munksgaard International Pub., POB 2148, DK-1016 Copenhagen K, Denmark) V.60- 1987- Volume(issue)/page/year: 69,64,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
507 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHTOEH Pharmacology and Toxicology (Copenhagen). (Munksgaard International Pub., POB 2148, DK-1016 Copenhagen K, Denmark) V.60- 1987- Volume(issue)/page/year: 69,64,1991
Symbol GHS06
GHS06
Signal Word Danger
Hazard Statements H301
Precautionary Statements P301 + P310
RIDADR UN 2811 6.1 / PGIII
Precursor  2

DownStream  1


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