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Proadifen hydrochloride

Proadifen hydrochloride structure

CAS No:
62-68-0
Formula:
C23H31NO2.ClH
Chemical Name:
Proadifen hydrochloride
Synonyms:
Benzeneacetic acid,α-phenyl-α-propyl-,2-(diethylamino)ethyl ester,hydrochloride (1:1);Valeric acid,2,2-diphenyl-,2-(diethylamino)ethyl ester hydrochloride;Benzeneacetic acid,α-phenyl-α-propyl-,2-(diethylamino)ethyl ester,hydrochloride;SKF 525A;U 5446;2′-Diethylaminoethyl 2,2-diphenylpentanoate hydrochloride;β-Diethylaminoethyl diphenylpropylacetate hydrochloride;2-(Diethylamino)ethyl 2,2-diphenylvalerate hydrochloride;Proadifen hydrochloride;RP 5171;SKF 525
Categories:
Analytical Chemistry > Standard

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 thr

An inhibitor of drug metabolism and CYTOCHROME P-450 ENZYME SYSTEM activity.

Proadifen hydrochloride Basic Attributes

Molecular Weight：

389.96

Exact Mass：

389.212158

EC Number：

1308068-626-2

UNII：

30624AA6X2

NSC Number：

758181|170997|39690

DSSTox ID：

DTXSID1045792

HScode：

29221990

Characteristics

PSA：

29.5

Melting Point：

120 °C

Boiling Point：

460.8°C at 760 mmHg

Flash Point：

132.3ºC

Water Solubility：

soluble in methanol or water

Storage Conditions：

−20°C

Toxicity：

LD50 oral in rat: 2140mg/kg

Collision Cross Section：

187.3 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

36-24/25

RTECS Number：

YV7175000

Marks：

Stability/Shelf Life：

Store in Freezer

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

Drug Information

MeSH：

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

MeSH Entry Terms：

Acetate, Diethylaminoethyldiphenylpropyl

Proadifen hydrochloride Use and Manufacturing

Cytochrome P-459 inhibitor; blocks glibenclamide-sensitive K+ channels; inhibits neuronal nitric oxide synthetase;stimulates endothelial cell prostacyclin while inhibiting platelet thromboxane synthesis

Computed Properties

Molecular Weight:390.0
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:11
Exact Mass:389.2121570
Monoisotopic Mass:389.2121570
Topological Polar Surface Area:29.5
Heavy Atom Count:27
Complexity:375
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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PROADIFEN HYDROCHLORIDE

CAS No.: 62-68-0

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