7659-29-2

7659-29-2 structure

Name: OR-486
Chemical Name: 3,5-dinitrobenzene-1,2-diol
CAS Number: 7659-29-2
Molecular Formula: C₆H₄N₂O₆
Molecular Weight: 200.10600
Catalog: Research Areas Neurological Disease
Create Date: 2018-04-26 08:00:00
Modify Date: 2026-07-01 23:38:01
3,5-Dinitrocatechol (OR-486) is a potent catechol-O-methyltransferase inhibitor, with an IC50 of 12 nM. 3,5-Dinitrocatechol can be used in the preparation of the molybdenum (VI)- 3,5-Dinitrocatechol complex[1][2][3].

Name	3,5-dinitrobenzene-1,2-diol
Synonyms	3,5-Dinitropyrocatechol 3,5-Dinitro-1,2-benzenediol, OR-486 3,5-DINITROCATECHOL (OR-486) (SELECTIVE INHIBITOR OF CATECHOL 1,2-Benzenediol, 3,5-dinitro Pyrocatechol,3,5-dinitro 1,2-Dihydroxy-3,5-dinitrobenzene 3,5-DINITROCATECHOL 3,5-dinitropyrocatechol 3,5-Dinitroactechol 3,5-DINITRO-1,2-BENZENEDIOL 3,5-dinitrocatechol Ro-01-2812 Entacapone Impurity 5（Entacapone Impurity A） Entacapone Impurity 5（Entacapone Impurity E） 4,6-dinitro-o-cresol MFCD00069263 1,2-Benzenediol,3,5-dinitro Imp. E :3,5-Dinitrobenzene-1,2-diol 1,2-Benzenediol, 3,5-dinitro- (9CI) inhibit,3,5-Dinitropyrocatechol,3,5-Dinitrocatechol,3,5Dinitrocatechol,molybdenum,OR486,3,5 Dinitrocatechol,OR 486,Inhibitor,OR-486 Entacapone Impurity 21(Entacapone Impurity E) 3,5-dinitro-2-benzenediol Entacapone impurity E 3,5-Dinitro-1,2-benzenediol

Description	3,5-Dinitrocatechol (OR-486) is a potent catechol-O-methyltransferase inhibitor, with an IC50 of 12 nM. 3,5-Dinitrocatechol can be used in the preparation of the molybdenum (VI)- 3,5-Dinitrocatechol complex[1][2][3].
Related Catalog	Signaling Pathways >> Others >> Others Research Areas >> Neurological Disease
References	[1]. Nissinen E, et, al. Inhibition of catechol-O-methyltransferase activity by two novel disubstituted catechols in the rat. Eur J Pharmacol. 1988 Aug 24;153(2-3):263-9. [2]. Yamaki F, et, al. Effects of Catecholamine Metabolites on Beta-Adrenoceptor-Mediated Relaxation of Smooth Muscle: Evaluation in Mouse and Guinea-Pig Trachea and Rat Aorta. Biol Pharm Bull. 2020;43(3):493-502. [3]. Stojnova K, et, al. Study on the Complex Equilibria of Molybdenum(VI) with 3,5-Dinitrocatechol and Ditetrazolium Salt. Acta Chim Slov. 2016;63(3):654-60.

Density	1.819g/cm3
Boiling Point	354.5ºC at 760 mmHg
Molecular Formula	C₆H₄N₂O₆
Molecular Weight	200.10600
Flash Point	162.2ºC
Exact Mass	200.00700
PSA	132.10000
LogP	1.96060
Index of Refraction	1.712

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CZ8947010

CHEMICAL NAME :: 1,2-Benzenediol, 3,5-dinitro-

CAS REGISTRY NUMBER :: 7659-29-2

BEILSTEIN REFERENCE NO. :: 2217246

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C6-H4-N2-O6

MOLECULAR WEIGHT :: 200.12

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: HCACAV Helvetica Chimica Acta. (Verlag Helvetica Chimica Acta, Postfach, CH-4002 Basel, Switzerland) V.1- 1918- Volume(issue)/page/year: 72,952,1989

Personal Protective Equipment	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
RIDADR	NONH for all modes of transport
RTECS	CZ8947010

635-67-6

7659-29-2

Literature: Journal of the Chemical Society, , p. 1868

89563-21-3

~93%

7659-29-2

Literature: Spyroudis, Spyros; Varvoglis, Anastasios Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1984 , # 2 p. 135 - 137

89563-18-8

~33%

7659-29-2

Literature: Spyroudis, Spyros; Varvoglis, Anastasios Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1984 , # 2 p. 135 - 137

51-28-5

7659-29-2

Literature: Tetrahedron, , vol. 26, p. 255 - 265

4097-63-6

7659-29-2

Literature: Journal of the Chemical Society, , vol. 103, p. 1489 Journal fuer Praktische Chemie (Leipzig), , vol. <2>88, p. 796 Bulletin de la Societe Chimique de France, , vol. <4>13, p. 989 Chem. Zentralbl., , vol. 85, # I p. 460

89563-26-8

7659-29-2

Literature: Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , # 2 p. 135 - 137

7647-01-0

4097-63-6

7659-29-2

Literature: Journal of the Chemical Society, , vol. 103, p. 1489 Journal fuer Praktische Chemie (Leipzig), , vol. <2> 88, p. 787 Bulletin de la Societe Chimique de France, , vol. <4> 13, p. 982 Chem. Zentralbl., , vol. 85, # I p. 460

861612-12-6

10035-10-6

7659-29-2

Literature: Bulletin de la Societe Chimique de France, , vol. <4> 5, p. 510

Precursor 7
635-67-6 51-28-5 4097-63-6 89563-26-8
7647-01-0 861612-12-6 10035-10-6
DownStream 2
59820-95-0 70187-40-5

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