Introduction：Basic information about CAS 4774-24-7|Quipazine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Quipazine |
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| CAS Number | 4774-24-7 | Molecular Weight | 213.278 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 403.7±25.0 °C at 760 mmHg |
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| Molecular Formula | C21H23N3O8 | Melting Point | 120-122 °C(lit.) |
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| MSDS | / | Flash Point | 198.0±23.2 °C |
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Names
| Name | Quipazine |
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| Synonym | More Synonyms |
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Quipazine BiologicalActivity
| Description | Quipazine is a 5-HT agonist with a Ki value of 1.4 nM for displaces [3H]GR65630 from 5-HT3R in rat. Quipazine shows antiviral activity against SARS-CoV-2 with an EC50 of 31.64 μM. Quipazine behaves as a 5-HT3R agonist in peripheral models. Quipazine can be used for neurological disease research[1][2][3][4]. |
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| Related Catalog | Signaling Pathways >>Anti-infection >>SARS-CoVResearch Areas >>Neurological DiseaseSignaling Pathways >>GPCR/G Protein >>5-HT ReceptorSignaling Pathways >>Neuronal Signaling >>5-HT Receptor |
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| In Vitro | Quipazine 对 5-HT1 和 5-HT2 具有结合效能，Ki 值均为 230 nM[3]。 Quipazine 取代大鼠内皮层中 5-HT3R 的 [3H]GR65630，Ki 值为 1.4 nM[3]。 Quipazine 对大鼠迷走神经具有拮抗作用，对 5-HT2，5-HT1 以及抑制 5-HT 释放的 pIC50 值分别为 6.1，6.49 和 6.17[4]。 |
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| In Vivo | Quipazine (2.5，5 和 7.5 mg/kg，每个剂量各一次；腹腔注射) 影响雄性和雌性大鼠对不同宏量营养素饮食的膳食自我选择[1]。 |
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| References | [1]. Mok E, et al. Effect of quipazine, a selective 5-HT3 agonist, on dietary self-selection of different macronutrient diets in male and female rats. Appetite. 2000 Jun;34(3):313-25. [2]. Günther S, et al. X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science. 2021 May 7;372(6542):642-646. [3]. Glennon RA, et al. 5-HT1 and 5-HT2 binding characteristics of some quipazine analogues. J Med Chem. 1986 Nov;29(11):2375-80. [4]. Ireland SJ, Tyers MB. Pharmacological characterization of 5-hydroxytryptamine-induced depolarization of the rat isolated vagus nerve. Br J Pharmacol. 1987 Jan;90(1):229-38. |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 403.7±25.0 °C at 760 mmHg |
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| Melting Point | 120-122 °C(lit.) |
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| Molecular Formula | C21H23N3O8 |
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| Molecular Weight | 213.278 |
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| Flash Point | 198.0±23.2 °C |
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| Exact Mass | 213.126602 |
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| PSA | 177.36000 |
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| LogP | 1.59 |
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| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
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| Index of Refraction | 1.629 |
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| InChIKey | XRXDAJYKGWNHTQ-UHFFFAOYSA-N |
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| SMILES | c1ccc2nc(N3CCNCC3)ccc2c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- VC2513500
- CHEMICAL NAME :
- Quinoline, 2-(1-piperazinyl)-
- CAS REGISTRY NUMBER :
- 4774-24-7
- BEILSTEIN REFERENCE NO. :
- 0196945
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C13-H15-N3
- MOLECULAR WEIGHT :
- 213.31
- WISWESSER LINE NOTATION :
- T66 BNJ C- AT6N DNTJ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 296 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DDREDK Drug Development Research. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1981- Volume(issue)/page/year: 3,357,1983
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 135 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 28,1394,1985
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Safety Information
Synonyms
| Quinoline, 2-(1-piperazinyl)- |
| 2-(piperazin-1-yl)quinoline |
| Quipazine |
| MFCD00242605 |
| 2-(1-Piperazinyl)quinoline |
| 2-piperazin-1-yl-quinoline |
