CAS 62-68-0|Proadifen hydrochloride

Introduction：Basic information about CAS 62-68-0|Proadifen hydrochloride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Proadifen hydrochloride BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Articles26
7. Synonyms

Common Name	Proadifen hydrochloride
CAS Number	62-68-0	Molecular Weight	389.959
Density	/	Boiling Point	460.8ºC at 760 mmHg
Molecular Formula	C₂₃H₃₂ClNO₂	Melting Point	122-123ºC
MSDS	ChineseUSA	Flash Point	132.3ºC

Names

Name	2-(diethylamino)ethyl 2,2-diphenylpentanoate,hydrochloride
Synonym	More Synonyms

Proadifen hydrochloride BiologicalActivity

Description	Proadifen hydrochloride is a Cytochrome P450 inhibitor (IC50 = 19μM). IC50 value: 19μMTarget: P450Proadifen HCl has many biochemical functions, some of which include: inhibitory effects on NOS1 (neuronal nitric oxide synthase; IC50 = 90 mM), adult mouse skeletal muscle AChR (acetyl choline receptor), hepatic drug metabolism via the CYP (cytochrome P450) system, CYP-dependent (cytochrome P450-dependent) arachidonate metabolism (90% at 50 μM), transmembrane calcium influx, and platelet thromboxane synthesis. This compound has also been shown to block KIR6.1 (ATP-sensitive inward rectifier potassium channel 8; IC50 = 4.4 mM) and stimulate endothelial cell prostacyclin production.
Related Catalog	Signaling Pathways >>Metabolic Enzyme/Protease >>Cytochrome P450Research Areas >>Others

Description

Proadifen hydrochloride is a Cytochrome P450 inhibitor (IC50 = 19μM). IC50 value: 19μMTarget: P450Proadifen HCl has many biochemical functions, some of which include: inhibitory effects on NOS1 (neuronal nitric oxide synthase; IC50 = 90 mM), adult mouse skeletal muscle AChR (acetyl choline receptor), hepatic drug metabolism via the CYP (cytochrome P450) system, CYP-dependent (cytochrome P450-dependent) arachidonate metabolism (90% at 50 μM), transmembrane calcium influx, and platelet thromboxane synthesis. This compound has also been shown to block KIR6.1 (ATP-sensitive inward rectifier potassium channel 8; IC50 = 4.4 mM) and stimulate endothelial cell prostacyclin production.

Related Catalog

Signaling Pathways >>Metabolic Enzyme/Protease >>Cytochrome P450Research Areas >>Others

Chemical & Physical Properties

Boiling Point	460.8ºC at 760 mmHg
Melting Point	122-123ºC
Molecular Formula	C₂₃H₃₂ClNO₂
Molecular Weight	389.959
Flash Point	132.3ºC
Exact Mass	389.212158
PSA	29.54000
LogP	5.45980
InChIKey	FHIKZROVIDCMJA-UHFFFAOYSA-N
SMILES	CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1.Cl
Storage condition	−20°C
Stability	Store in Freezer
Water Solubility	Soluble in methanol or water

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YV7175000

CHEMICAL NAME :: Valeric acid, 2,2-diphenyl-, 2-(diethylamino)ethyl ester, hydrochloride

CAS REGISTRY NUMBER :: 62-68-0

LAST UPDATED :: 199206

DATA ITEMS CITED :: 9

MOLECULAR FORMULA :: C23-H31-N-O2.Cl-H

MOLECULAR WEIGHT :: 390.01

WISWESSER LINE NOTATION :: 3XR&R&VO2N2&2 &GH

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 :: 2140 mg/kg

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

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 111,131,1954

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 163 mg/kg

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

REFERENCE :: 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,366,1972

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 538 mg/kg

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

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 111,131,1954

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 110 mg/kg

TOXIC EFFECTS :: Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - reactivates cholinesterase

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 3,508,1969

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 60 mg/kg

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

REFERENCE :: 27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,366,1972

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: >100 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Gastrointestinal - nausea or vomiting

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 8,118,1966

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: 25 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 8,118,1966

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Parenteral

SPECIES OBSERVED :: Mammal - cat

DOSE/DURATION :: >10 mg/kg

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

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 8,118,1966 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 20 mg/kg

SEX/DURATION :: female 4 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Maternal Effects - ovaries, fallopian tubes Reproductive - Maternal Effects - uterus, cervix, vagina

REFERENCE :: JSICAZ Journal of Scientific and Industrial Research, Section C: Biological Sciences. (New Delhi, India) V.14-21, 1955-62. For publisher information, see IJEBA6. Volume(issue)/page/year: 19,264,1960

Safety Information

Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xn
Risk Phrases	22
Safety Phrases	S36
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	YV7175000

Articles26

Effects of cytochrome P450 inhibitors on peroxidase activity.

Neuro Endocrinol. Lett. 33 Suppl 3 , 33-40, (2012)

Of several enzymes metabolizing xenobiotics, cytochrome P450 (CYP) and peroxidase enzymes seem to be most important. One of the major challenges in studies investigating metabolism of xenobiotics is t...

Methamphetamine accelerates cellular senescence through stimulation of de novo ceramide biosynthesis.

PLoS ONE 10(2) , e0116961, (2015)

Methamphetamine is a highly addictive psychostimulant that causes profound damage to the brain and other body organs. Post mortem studies of human tissues have linked the use of this drug to diseases ...

Subepithelial trypsin induces enteric nerve-mediated anion secretion by activating proteinase-activated receptor 1 in the mouse cecum.

J. Physiol. Sci. 62(3) , 211-9, (2012)

Serine proteases are versatile signaling molecules and often exert this function by activating the proteinase-activated receptors (PAR(1)-PAR(4)). Our previous study on the mouse cecum has shown that ...

Synonyms

Benzeneacetic acid, α-phenyl-α-propyl-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)

2-Diethylaminoethyl Propyldiphenylacetate Hydrochloride

β-Diethylaminoethyl diphenylpropylacetate hydrochloride

F 525-A

SKF-525A,Hydrochloride

RP 5171

2-Diethylaminoethyl α,α-diphenyl valerate hydrochloride

2,2-Diphenylvaleric Acid 2-(Diethylamino)ethyl Ester Hydrochloride

2-[(2,2-diphenylpentanoyl)oxy]-N,N-diethylethanaminium chloride

Benzeneacetic acid, α-phenyl-α-propyl-, 2- (diethylamino)ethyl ester, hydrochloride

Proadifen HCl

Proadifen hydrochloride

proadifen

2-Diethylaminoethyl-2,2-diphenylvalerate Hydrochloride

N,N-diethylaminoethyl-2,2-diphenylvalerate hydrochloride

Valeric acid, 2,2-diphenyl-, 2-diethylaminoethyl ester, hydrochloride

SKF 525A

Valeric acid, 2,2-diphenyl-, 2- (diethylamino)ethyl ester hydrochloride

Benzeneacetic acid, α-phenyl-α-propyl-, 2-(diethylamino)ethyl ester hydrochloride

2-diethylaminoethyl 2,2-diphenylvalerate hydrochloride

MFCD00055151

Propyladiphenin

2-(Diethylamino)ethyl 2,2-diphenylpentanoate hydrochloride (1:1)

a-Phenyl-a-propylbenzeneacetic Acid 2-(Diethylamino)ethyl Ester Hydrochloride

SKF-525A

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