CAS 170911-68-9

4-[4-[2-[3-(2-Aminoethyl)-1H-indol-5-yloxy]acetyl]piperazin-1-yl]benzonitrile hydrochloride

Description:

4-[4-[2-[3-(2-Aminoethyl)-1H-indol-5-yloxy]acetyl]piperazin-1-yl]benzonitrile hydrochloride, with the CAS number 170911-68-9, is a synthetic organic compound characterized by its complex structure, which includes an indole moiety, a piperazine ring, and a benzonitrile group. This compound is typically classified as a pharmaceutical intermediate or a potential drug candidate, often investigated for its biological activity, particularly in the context of neuropharmacology or oncology. The presence of the aminoethyl group suggests potential interactions with biological targets, possibly influencing receptor binding or enzyme activity. As a hydrochloride salt, it is likely to exhibit improved solubility in aqueous environments, which is advantageous for pharmacological applications. The compound's synthesis and characterization would involve standard organic chemistry techniques, including chromatography and spectroscopy, to confirm its purity and structural integrity. Overall, its unique structural features may contribute to its pharmacological properties, making it a subject of interest in medicinal chemistry research.

Formula: C₂₃H₂₆ClN₅O₂

InChI: InChI=1/C23H25N5O2.ClH/c24-8-7-18-15-26-22-6-5-20(13-21(18)22)30-16-23(29)28-11-9-27(10-12-28)19-3-1-17(14-25)2-4-19;/h1-6,13,15,26H,7-12,16,24H2;1H

SMILES: c1cc(ccc1C#N)N1CCN(CC1)C(=O)COc1ccc2c(c1)c(CCN)c[nH]2.Cl

Synonyms:

• Donitriptan hydrochloride
• F-11356
• 4-[4-({[3-(2-aminoethyl)-1H-indol-5-yl]oxy}acetyl)piperazin-1-yl]benzonitrile hydrochloride (1:1)
• Donitriptan

Donitriptan hydrochloride

CAS: 170911-68-9

Donitriptan hydrochloride (Donitriptan monohydrochloride) is a potent, high efficacy agonist of 5-HT1B/1D receptors with pKis of 9.4 and 9.3, respectively

Formula: C₂₃H₂₆ClN₅O₂

Purity: 99.8% - 99.86%

Color and Shape: Solid

Molecular weight: 439.94

Ref: TM-T21666

Donitriptan Hydrochloride

CAS: 170911-68-9

Applications A novel 5-hydroxytryptamine (5-HT) derivative with potent, selective, and unique high intrinsic activity at 5-HT1B/1D receptors in models relevant to migraine. An antimigraine agent.
References Pauwels, P., et al.: Biochem. Pharmacol., 46, 535 (1993), Kleven, M., et al.: Eur. J. Pharmacol., 281, 219 (1995), Perez, M., et al.: J. Med. Chem., 38, 3602 (1995), Le Grand, B., et al.: J. Cardiovasc. Pharmacol., 32, 435 (1998),

Formula: C₂₃H₂₅N₅O₂·HCl

Color and Shape: Neat

Molecular weight: 439.94

Ref: TR-D532500

Donitriptan hydrochloride

Controlled Product

CAS: 170911-68-9

Serotonin receptor (5-HT1B/1D) agonist

Purity: Min. 95%

Ref: 3D-FD32712