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DC Chemicals Limited
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Dayang Chem (Hangzhou) Co., Ltd.
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59-63-2

59-63-2 structure

Name: Isocarboxazid
Chemical Name: N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide
CAS Number: 59-63-2
Molecular Formula: C₁₂H₁₃N₃O₂
Molecular Weight: 231.251
Catalog: Pharmaceutical intermediate OLED material intermediate
Create Date: 2018-05-22 08:00:00
Modify Date: 2024-01-08 18:38:29
Isocarboxazid is a non-selective and irreversible inhibitor of monoamine oxidase, with an IC50 of 4.8 μM for rat brain monoamine oxidase in vitro[1].

Name	N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide
Synonyms	isocarboxazide Benazide 5-Methyl-isoxazol-3-carbonsaeure-(N'-benzyl-hydrazid) Marplan Isocarboxazidum N'-Benzyl-5-methylisoxazol-3-carbohydrazid Isocarboxazida 3-Isoxazolecarboxylic acid, 5-methyl-, 2-(phenylmethyl)hydrazide N'-benzyl-5-méthylisoxazole-3-carbohydrazide Isocarbonazid Isocarboxazid N'-benzyl-5-methylisoxazole-3-carbohydrazide N-Benzyl-N'-<5-methyl-isoxazol-3-yl>-carbonyl-hydrazin Isocarbossazide N'-Benzyl-5-methyl-1,2-oxazole-3-carbohydrazide Isocarboxyzid Enerzer 5-methyl-isoxazole-3-carboxylic acid-(N'-benzyl-hydrazide) isocarboxacid 5-methyl-N'-(phenylmethyl)isoxazole-3-carbohydrazide

Description	Isocarboxazid is a non-selective and irreversible inhibitor of monoamine oxidase, with an IC50 of 4.8 μM for rat brain monoamine oxidase in vitro[1].
Related Catalog	Signaling Pathways >> Neuronal Signaling >> Monoamine Oxidase Research Areas >> Neurological Disease
Target	IC50: 4.8 μM (rat brain monoamine oxidase)[1].
In Vivo	Isocarboxazid (1, 3 mg/kg, i.p., 60 min) pretreatment in mice shows the significant increased number of head twitches at 15 and 30 min after 5-HTP[2]. Isocarboxazid (1, 3 mg/kg, i.p., 60 min) treatment in mice together with 5-HTP administration causes 43% 5-HT concentration increased and 22% of 5-HIAA decreased compared to brain concentrations in mice given 5-HTP alone[2]. Animal Model: Twelve male mice of dd strain (20-25 g)[2] Dosage: 0, 0.3,1, 3 mg/kg Administration: Intraperitoneally 60 min before intravenous injection of 5-HTP Result: The number of head twitches at 15 and 30 min after 5-HTP was increased. 43% 5-HT concentration increased and 22% of 5-HIAA decreased.
References	[1]. MAXWELL DR, et al. Relative activity of some inhibitors of mono-amine oxidase in potentiating the action of tryptamine in vitro and in vivo. Br J Pharmacol Chemother. 1961 Dec;17:310-20.

Density	1.2±0.1 g/cm3
Boiling Point	394.5±42.0 °C at 760 mmHg
Melting Point	98-100ºC
Molecular Formula	C₁₂H₁₃N₃O₂
Molecular Weight	231.251
Flash Point	192.4±27.9 °C
Exact Mass	231.100784
PSA	67.16000
LogP	1.03
Vapour Pressure	0.0±0.9 mmHg at 25°C
Index of Refraction	1.573
Storage condition	-20°C Freezer

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NY2625000

CHEMICAL NAME :: 3-Isoxazolecarboxylic acid, 5-methyl-, 2-benzylhydrazide

CAS REGISTRY NUMBER :: 59-63-2

BEILSTEIN REFERENCE NO. :: 0201295

LAST UPDATED :: 199612

DATA ITEMS CITED :: 17

MOLECULAR FORMULA :: C12-H13-N3-O2

MOLECULAR WEIGHT :: 231.28

WISWESSER LINE NOTATION :: T5NOJ C1 EVMM1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - woman

DOSE/DURATION :: 4800 ug/kg/21W-I

TOXIC EFFECTS :: Nutritional and Gross Metabolic - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - monoamine oxidase

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 280 mg/kg

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

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 199 mg/kg

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

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 193 mg/kg

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

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 138 mg/kg

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

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 150 mg/kg

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

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: >40 mg/kg

TOXIC EFFECTS :: Gastrointestinal - nausea or vomiting

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Primate - monkey

DOSE/DURATION :: 160 mg/kg

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

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 130 mg/kg

SEX/DURATION :: female 10-22 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - behavioral

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 100 mg/kg

SEX/DURATION :: female 10 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetal death

TYPE OF TEST :: DNA damage

TYPE OF TEST :: DNA damage

MUTATION DATA

TEST SYSTEM :: Rodent - mouse

DOSE/DURATION :: 49 mg/kg

REFERENCE :: JTEHD6 Journal of Toxicology and Environmental Health. (Hemisphere Pub., 1025 Vermont Ave., NW, Washington, DC 20005) V.1- 1975/76- Volume(issue)/page/year: 9,287,1982 *** REVIEWS *** TOXICOLOGY REVIEW IDPYAK Industrial Pharmacology. (Mount Kisco, NY) V.1-3, 1974-79. Discontinued. Volume(issue)/page/year: 2,209,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6269 No. of Facilities: 9 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 339 (estimated) No. of Female Employees: 170 (estimated)

Symbol	GHS06
Signal Word	Danger
Hazard Statements	H301
Precautionary Statements	Missing Phrase - N15.00950417
RIDADR	UN 3249
Packaging Group	III
Hazard Class	6.1(b)
HS Code	2934999090

19788-35-3

20570-96-1

59-63-2

Literature: Journal of Heterocyclic Chemistry, , vol. 46, # 5 p. 909 - 913

91397-11-4

59-63-2

Literature: Journal of Medicinal and Pharmaceutical Chemistry, , vol. 2, p. 133 - 145

62438-03-3

59-63-2

Literature: Journal of Medicinal and Pharmaceutical Chemistry, , vol. 2, p. 133 - 145

100-52-7

59-63-2

Literature: Journal of Medicinal and Pharmaceutical Chemistry, , vol. 2, p. 133 - 145

19788-35-3

555-96-4

59-63-2

Literature: Journal of Medicinal and Pharmaceutical Chemistry, , vol. 2, p. 133 - 145 US2908688 , ;

Precursor 6
19788-35-3 20570-96-1 91397-11-4 62438-03-3
100-52-7 555-96-4
DownStream 1
491594-42-4

HS Code	2934999090
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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