Basic information Safety Supplier Related

2-(4-TERT-BUTYL-2,6-DIMETHYL-BENZYL)-4,5-DIHYDRO-1H-IMIDAZOLE

Basic information Safety Supplier Related

2-(4-TERT-BUTYL-2,6-DIMETHYL-BENZYL)-4,5-DIHYDRO-1H-IMIDAZOLE Basic information

Product Name:
2-(4-TERT-BUTYL-2,6-DIMETHYL-BENZYL)-4,5-DIHYDRO-1H-IMIDAZOLE
Synonyms:
  • XYLOMETAZOLINE
  • 2-(4-TERT-BUTYL-2,6-DIMETHYL-BENZYL)-4,5-DIHYDRO-1H-IMIDAZOLE
  • AKOS BBS-00000259
  • XYLOMETAZOLINEANDITSHYDROCHLORIDE
  • Xylometazoline (base and/or unspecified salts)
  • 1h-imidazole,2-((4-(1,1-dimethylethyl)-2,6-dimethylphenyl)methyl)-4,5-dihydr
  • 2-(4-tert-butyl-2,6-dimethylbenzyl)-2-imidazolin
  • 2-(4-tert-Butyl-2,6-dimethylbenzyl)-2-imidazoline
CAS:
526-36-3
MF:
C16H24N2
MW:
244.38
EINECS:
208-390-6
Mol File:
526-36-3.mol
More
Less

2-(4-TERT-BUTYL-2,6-DIMETHYL-BENZYL)-4,5-DIHYDRO-1H-IMIDAZOLE Chemical Properties

Melting point:
131-133°
Boiling point:
394.2±21.0 °C(Predicted)
Density 
1.00±0.1 g/cm3(Predicted)
storage temp. 
Store at -20°C
solubility 
DMSO: 49 mg/mL (200.51 mM);Ethanol: 49 mg/mL (200.51 mM)
pka
pKa 10.6±0.1(H2O t = 22.0) (Uncertain)
Water Solubility 
Water: Insoluble
InChI
InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)
InChIKey
HUCJFAOMUPXHDK-UHFFFAOYSA-N
SMILES
C1(CC2=C(C)C=C(C(C)(C)C)C=C2C)NCCN=1
CAS DataBase Reference
526-36-3
More
Less

Safety Information

Toxicity
LD50 oral in mouse: 215mg/kg
More
Less

2-(4-TERT-BUTYL-2,6-DIMETHYL-BENZYL)-4,5-DIHYDRO-1H-IMIDAZOLE Usage And Synthesis

Uses

Adrenergic (vasoconstrictor).

Uses

Xylometazoline is used for rhinitis, laryngitis, sinusitis, inflammation of antrum of Highmore, and allergic illnesses of the nasal cavity and throat.

Definition

ChEBI: Xylometazoline is an alkylbenzene.

brand name

Neo-Synephrine II (Sterling Winthrop); Otrivin Hydrochloride (Ciba-Geigy).

Synthesis

Xylometazoline, 2-(4-tert-butyl-2,6-dimethylbenzyl)-2-imidazoline (11.1.40), is also synthesized in a single reaction by cyclocondensation of 4-tert-butyl-2,6- dimethylbenzylcyanide with ethylendiamine [43,44].

in vivo

Xylometazoline (1 mg/mL, intranasal, single dose) improves sinusitis in rats[3].
Xylometazoline and its excipients, when used for prolonged periods, may cause ophthalmic problems such as dry eyes, corneal edema, cataracts, retinal nerve fiber layer damage, and vascular damage[4].

Animal Model:SpragueDawley rat induced by platelet-activating factor[3]
Dosage:1 mg/mL; single dose
Administration:Intranasal administration
Result:Showed almost no vascular congestion, little infiltration, and the epithelium was completely intact.

IC 50

Alpha-1A adrenergic receptor: 0.05 μM (Ki); Alpha-1B adrenergic receptor: 0.30 μM (Ki); Alpha-1D adrenergic receptor: 0.15 μM (Ki); Alpha-2A adrenergic receptor: 0.88 μM (Ki); Alpha-2B adrenergic receptor: 1.7 μM (Ki); Alpha-2C adrenergic receptor: 0.19 μM (Ki)

2-(4-TERT-BUTYL-2,6-DIMETHYL-BENZYL)-4,5-DIHYDRO-1H-IMIDAZOLESupplier

Jiangsu Ruidian Pharmaceutical Co., Ltd Gold
Tel
0518-15950720386 15896106238
Email
2894106063@qq.com
Hangzhou Yuhao Chemical Technology Co., Ltd
Tel
0571-82693216
Email
info@yuhaochemical.com
Nanjing Sunlida Biological Technology Co., Ltd.
Tel
025-57798810
Email
sales@sunlidabio.com
Shanghai Kewel Chemical Co., Ltd.
Tel
021-64609169 18901607656
Email
greensnown@163.com
Shanghai YuanYe Biotechnology Co., Ltd.
Tel
021-61312847; 18021002903
Email
3008007409@qq.com