Proadifen hydrochloride

Modify Date: 2024-01-02 09:18:44

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

 Use of Proadifen hydrochloride


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.

 Names

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

 Proadifen hydrochloride Biological Activity

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.
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 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
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

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 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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