Basic information
- CAS
62-68-0- Standard SMILES
CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1.Cl- InChIKey
FHIKZROVIDCMJA-UHFFFAOYSA-N- Molecular formula
- C23H32ClNO2
- Average molar mass
- 390 g/mol
- Monoisotopic mass
- 389.212157
Overview
See also: Proadifen (has active moiety).
Names & identifiers
- Preferred name
- Proadifen Hydrochloride
- IUPAC
- 2-(diethylamino)ethyl 2,2-diphenylpentanoate;hydrochloride
- English name
- Proadifen hydrochloride
- Molecular formula
- C23H32ClNO2
- Molecular weight
- 389.96
Names & synonyms
Proadifen hydrochloride62-68-0Proadifen HClSK&F 525-ARP 5171DTXSID1045792NSC-170997SK&F-525-AHydrochloride, Proadifen30624AA6X2RP-5171SKF-525A
Show more names
PROADIFENSKF-525A, HYDROCHLORIDE5171rpU 5446SU-5446SKF 525nsc39690SKF-525A HCLPROADIFEN, HCL
DTXCID9025792SK 525A2,2-Diphenylpentansaeure-2-diethylaminoethylester, HClRefChem:176094SKF525ASK&F525ASK525ASKF 525 A
Database identifiers
- CAS
62-68-0- PubChem CID
- 65341
- DTXSID
DTXSID1045792- ChEMBL
CHEMBL347036- UNII
- 30624AA6X2
- EC Number
- 688-917-8
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 375
Experimental & physicochemical properties
Solubility47.4 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section187.3 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 122 · 122-123°C
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- Soluble in DMSO (up to 20 mg/ml)
- form
- White solid
- color
- 2 CO/pet · Lustrous crystals from Me2CO/pet ether
- Water Solubility
- Soluble in methanol or water
- Stability
- Store in Freezer
- Major Application
- forensics and toxicologypharmaceutical (small molecule)
- InChI
- 1S/C23H31NO2.ClH/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3;/h7-16H,4-6,17-19H2,1-3H3;1H
- InChIKey
- FHIKZROVIDCMJA-UHFFFAOYSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Benzeneacetic acid, .alpha.-phenyl-.alpha.-propyl-, 2-(diethylamino)ethyl ester, hydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- YV7175000
- hs_code
- 29221990
- Toxicity
- LD50 oral in rat: 2140mg/kg
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312a-P330-P501a
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Applications
DescriptionSKF 525A is a widely used, nonspecific cytochrome P (CYP)450 inhibitor that demonstrates 100% inhibition of the various CYP450 isoforms at 1-100 μM. It therefore potentiates the effects of many different drugs by inhibiting their metabolism (IC50 values in the μM range when tested using human liver microsomes). SKF 525A inhibits CYP450-dependent arachidonic acid conversion to active EET metabolites, antagonizing the recovery of functional calcium pools. It also acts as a noncompetitive inhibitor of acetylcholine nicotinic receptors (IC50 = 19 μM in mouse skeletal muscle).
Usesanti-infective
UsesAn inhibitor of NOS1, AChR, cytochrome P-450, and KIR6.1.
UsesCytochrome P-459 inhibitor; blocks glibenclamide-sensitive K+ channels; inhibits neuronal nitric oxide synthetase; stimulates endothelial cell prostacyclin while inhibiting platelet thromboxane synthesis
UsesProadifen hydrochloride is an inhibitor of NOS1, AChR, cytochrome P-450, and KIR6. Proadifen hydrochloride bind to the protein moiety of P-450, also reduced the hypoxic response. of Proadifen hydrochloride have good antiarrhythmic effects. SKF-525A substantially reduced the depletion of cardiac norepinephrine.
Suppliers70 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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