Adiphenine (hydrochloride)

CAT: 0804-HY-B0379A-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-B0379A-01Size:100 mg

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Description

Adiphenine hydrochloride is a non-competitive inhibitor of nicotinic acetylcholine receptor (nAChR), with an IC50s of 1.9, 1.8, 3.7, and 6.3 μM for α1, α3β4, α4β2, and α4β4, respectively. Adiphenine hydrochloride has anticonvulsant effects[1][2][3].

CAS Number

50-42-0

UNSPSC

12352005

Hazard Statement

H302, H312, H332

Target

NAChR

Type

Reference compound

Related Pathways

Membrane Transporter/Ion Channel; Neuronal Signaling

Applications

Neuroscience-Neuromodulation

Field of Research

Neurological Disease

Assay Protocol

https://www.medchemexpress.com/Adiphenine-hydrochloride.html

Concentration

10mM

Purity

99.14

Solubility

DMSO : ≥ 100 mg/mL|H2O : ≥ 50 mg/mL

Smiles

O=C(OCCN(CC)CC)C(C1=CC=CC=C1)C2=CC=CC=C2.Cl

Molecular Formula

C20H26ClNO2

Molecular Weight

347.88

Precautions

H302, H312, H332

References & Citations

[1]Spitzmaul, G., et al., The local anaesthetics proadifen and adiphenine inhibit nicotinic receptors by different molecular mechanisms. Br J Pharmacol, 2009. 157 (5) : p. 804-17.|[2]Michelot, J., et al., Adiphenine plasma levels and blood-brain barrier crossing in the rat. Eur J Drug Metab Pharmacokinet, 1985. 10 (4) : p. 273-8.|[3]Gentry CL, et, al. Local anesthetics noncompetitively inhibit function of four distinct nicotinic acetylcholine receptor subtypes. J Pharmacol Exp Ther. 2001 Dec;299 (3) :1038-48.|[4]TANAKA K, et, al. Anticonvulsant properties of procaine, cocaine, adiphenine and related structures. Proc Soc Exp Biol Med. 1955 Oct;90 (1) :192-5.

Shipping Conditions

Room Temperature

Storage Conditions

4°C (Powder, sealed storage, away from moisture)

Scientific Category

Reference compound1

Clinical Information

Launched

Chemical Information

Adiphenine Hydrochloride

See also: Adiphenine (has active moiety).

CAS Number	50-42-0
PubChem CID	5763
IUPAC Name	2-(diethylamino)ethyl 2,2-diphenylacetate;hydrochloride
Molecular Formula	C20H26ClNO2
Molecular Weight	347.9
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Heavy Atom Count	24
Formal Charge	0
Complexity	311

SMILES

CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2.Cl

InChI

InChI=1S/C20H25NO2.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,19H,3-4,15-16H2,1-2H3;1H

InChIKey

LKPINBXAWIMZCG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 50-42-0

CID: 5763

Formula: C20H26ClNO2

MW: 347.9

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	347.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Exact Mass	347.1652068
Monoisotopic Mass	347.1652068
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	311
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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TRC-A291580-100G	Adiphenine Hydrochloride
TRC-A291582-2.5MG	Adiphenine-d4 Hydrochloride
T68940-01	Adiphenine
B1878-S	Adiphenine HCl

Adiphenine (hydrochloride)

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