CAS 54-36-4|metyrapone

Introduction：Basic information about CAS 54-36-4|metyrapone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. metyrapone BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
5. Safety Information
6. Customs
7. Articles63
8. Synonyms

Common Name	metyrapone
CAS Number	54-36-4	Molecular Weight	226.274
Density	1.1±0.1 g/cm3	Boiling Point	384.4±22.0 °C at 760 mmHg
Molecular Formula	C₁₄H₁₄N₂O	Melting Point	53-56ºC
MSDS	ChineseUSA	Flash Point	189.3±28.8 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	metyrapone
Synonym	More Synonyms

metyrapone BiologicalActivity

Description	Metyrapone is an inhibitor of cytochrome P450-mediated ω/ω-1 hydroxylase activity and CYP11B1.Target: CYP11B1Metyrapone is a drug used in the diagnosis of adrenal insufficiency and occasionally in the treatment of Cushing's syndrome (hypercortisolism). Metyrapone blocks cortisol synthesis by reversibly inhibiting steroid 11β-hydroxylase. This stimulates ACTH secretion, which in turn increases plasma 11-Deoxycortisol levels.
Related Catalog	Signaling Pathways >>Autophagy >>AutophagySignaling Pathways >>Metabolic Enzyme/Protease >>Cytochrome P450Research Areas >>Metabolic Disease

Description

Metyrapone is an inhibitor of cytochrome P450-mediated ω/ω-1 hydroxylase activity and CYP11B1.Target: CYP11B1Metyrapone is a drug used in the diagnosis of adrenal insufficiency and occasionally in the treatment of Cushing's syndrome (hypercortisolism). Metyrapone blocks cortisol synthesis by reversibly inhibiting steroid 11β-hydroxylase. This stimulates ACTH secretion, which in turn increases plasma 11-Deoxycortisol levels.

Related Catalog

Signaling Pathways >>Autophagy >>AutophagySignaling Pathways >>Metabolic Enzyme/Protease >>Cytochrome P450Research Areas >>Metabolic Disease

Chemical & Physical Properties

Density	1.1±0.1 g/cm3
Boiling Point	384.4±22.0 °C at 760 mmHg
Melting Point	53-56ºC
Molecular Formula	C₁₄H₁₄N₂O
Molecular Weight	226.274
Flash Point	189.3±28.8 °C
Exact Mass	226.110611
PSA	42.85000
LogP	1.19
Vapour Pressure	0.0±0.9 mmHg at 25°C
Index of Refraction	1.565
Storage condition	Store at +4°C
Water Solubility	H2O: soluble (sparingly)

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UC3050000

CHEMICAL NAME :: 1-Propanone, 2-methyl-1,2-di-3-pyridyl-

CAS REGISTRY NUMBER :: 54-36-4

LAST UPDATED :: 199504

DATA ITEMS CITED :: 13

MOLECULAR FORMULA :: C14-H14-N2-O

MOLECULAR WEIGHT :: 226.30

WISWESSER LINE NOTATION :: T6NJ CX1&1&V- CT6NJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 521 mg/kg

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

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 300 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 :: 531 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 :: Intraperitoneal

DOSE :: 270 mg/kg

SEX/DURATION :: female 19-21 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - respiratory system Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 2160 mg/kg

SEX/DURATION :: female 8-19 day(s) after conception

TOXIC EFFECTS :: Reproductive - Maternal Effects - uterus, cervix, vagina Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 2600 mg/kg

SEX/DURATION :: male 13 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - testes, epididymis, sperm duct

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 800 mg/kg

SEX/DURATION :: male 40 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - other effects on male

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intratesticular

DOSE :: 18 mg/kg

SEX/DURATION :: male 1 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - testes, epididymis, sperm duct

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Parenteral

DOSE :: 300 mg/kg

SEX/DURATION :: male 30 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands Reproductive - Paternal Effects - other effects on male

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intratesticular

DOSE :: 100 mg/kg

SEX/DURATION :: male 1 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - testes, epididymis, sperm duct

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 600 mg/kg

SEX/DURATION :: male 6 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - testes, epididymis, sperm duct

MUTATION DATA

TEST SYSTEM :: Mammal - dog

DOSE/DURATION :: 800 mg/kg/40D (Continuous)

REFERENCE :: FOBGA8 Folia Biologica (Krakow). (Ars Polona, POB 1001, 00-068 Warsaw 1, Poland) V.1- 1953- Volume(issue)/page/year: 27,277,1979 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5298 No. of Facilities: 34 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 1271 (estimated) No. of Female Employees: 660 (estimated)

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H302-H315-H319-H335
Precautionary Statements	P301 + P312 + P330-P305 + P351 + P338
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xn
Risk Phrases	22-36/37/38
Safety Phrases	26
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	UC3050000
HS Code	2933399090

Customs

HS Code	2933399090
Summary	2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles63

Cytochrome P450-dependent metabolism of caffeine in Drosophila melanogaster.

PLoS ONE 10(2) , e0117328, (2015)

Caffeine (1, 3, 7-trimethylxanthine), an alkaloid produced by plants, has antioxidant and insecticide properties that can affect metabolism and cognition. In vertebrates, the metabolites derived from ...

The different roles of glucocorticoids in the hippocampus and hypothalamus in chronic stress-induced HPA axis hyperactivity.

PLoS ONE 9(5) , e97689, (2014)

Hypothalamus-pituitary-adrenal (HPA) hyperactivity is observed in many patients suffering from depression and the mechanism underling the dysfunction of HPA axis is not well understood. Chronic stress...

Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.

Chem. Res. Toxicol. 23 , 171-83, (2010)

Drug-induced liver injury is one of the main causes of drug attrition. The ability to predict the liver effects of drug candidates from their chemical structures is critical to help guide experimental...

Synonyms

Metopyrone

Metopiron

Chlorisondamine diiodide

Mepyrapone

Metyrapone

Methopirapone

Metroprione

Methapyrapone

Metyrapon

Metopirone

Methopyrinine

Methopyrone

2-methyl-1,2-dipyridin-3-ylpropan-1-one

2-Methyl-1,2-di(pyridin-3-yl)propan-1-one

1-Propanone, 2-methyl-1,2-di-3-pyridinyl-

Methopyrapone

2-Methyl-1,2-di(3-pyridinyl)-1-propanone

2-méthyl-1,2-dipyridin-3-ylpropan-1-one

2-Methyl-1,2-dipyridin-3-ylpropan-1-on

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