Introduction：Basic information about CAS 40796-97-2|MDL 72222, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | MDL 72222 |
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| CAS Number | 40796-97-2 | Molecular Weight | 314.20700 |
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| Density | 1.344g/cm3 | Boiling Point | 406.507ºC at 760 mmHg |
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| Molecular Formula | C15H17Cl2NO2 | Melting Point | / |
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| MSDS | / | Flash Point | 199.648ºC |
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Names
| Name | 1aH,3a,5a,H-tropan-3-yl-3,5-dichloro-benzoate |
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| Synonym | More Synonyms |
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MDL 72222 BiologicalActivity
| Description | Bemesetron (MDL 72222) is a selective 5-HT3 receptor antagonist with an IC50 of 0.33 nM[1]. Neuroprotective effects[2]. |
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| Related Catalog | Signaling Pathways >>GPCR/G Protein >>5-HT ReceptorSignaling Pathways >>Neuronal Signaling >>5-HT ReceptorResearch Areas >>Neurological Disease |
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| Target | 5-HT3 Receptor:0.33 nM (IC50) |
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| In Vitro | Blockade of 5-HT3 receptor with Bemesetron (MDL7222) reduces hydrogen peroxide-induced neurotoxicity in cultured rat cortical cells. Bemesetron (0.01, 0.1 and 1 μM) and Y25130 (0.05, 0.5 and 5 μM) concentration-dependently reduce the H2O2-induced decrease of MTT reduction showing 74.9±2.4 and 79.0 ±2.5% with 1 μM and 5 μM, respectively, which are maximal effects[2]. Pretreatment with Bemesetron (1 μM), Y25130 (5 AM) or MK-801 (10 μM) significantly, but not completely, inhibits the H2O2-induced elevation of [Ca2+]c[2]. Bemesetron (1 μM) inhibit H2O2-induced elevation of glutamate release showing 0.55±0.10 μM[2]. Bemesetron (1 μM) inhibits H2O2-induced ROS generation[2]. Bemesetron (1 μM) significantly blocks the H2O2-induced increase of caspase-3 immunoreactivity[2]. |
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| In Vivo | Bemesetron is used in the doses of 0.1, 1 and 10 mg/kg i.p. The lowest dose do not cause any significant change in catalepsy. However, 1 mg/kg Bemesetron causes a significant reduction of catalepsy (from 90 min after haloperidol), while 10 mg/kg significantly potentiates the phenomenon (from 60 min after haloperidol). The maximum inhibition of catalepsy (about 75%) occurs at 120 min, and the maximum potentiation (about 4.5-times the control value) occurs at 60 min after haloperidol[3]. |
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| References | [1]. Peters JA, et al. An electrophysiological investigation of the properties of 5-HT3 receptors of rabbit nodose ganglion neurones in culture. Br J Pharmacol. 1993 Oct;110(2):665-76. [2]. Lee HJ, et al. Blockade of 5-HT(3) receptor with MDL7222 and Y25130 reduces hydrogen peroxide-induced neurotoxicity in cultured rat cortical cells. Life Sci. 2005 Dec 5;78(3):294-300. [3]. Silva SR, et al. Effects of 5-HT3 receptor antagonists on neuroleptic-induced catalepsy in mice. Neuropharmacology. 1995 Jan;34(1):97-9. |
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Chemical & Physical Properties
| Density | 1.344g/cm3 |
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| Boiling Point | 406.507ºC at 760 mmHg |
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| Molecular Formula | C15H17Cl2NO2 |
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| Molecular Weight | 314.20700 |
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| Flash Point | 199.648ºC |
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| Exact Mass | 313.06400 |
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| PSA | 29.54000 |
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| LogP | 3.71330 |
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| Index of Refraction | 1.597 |
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| InChIKey | MNJNPLVXBISNSX-PBWFPOADSA-N |
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| SMILES | CN1C2CCC1CC(OC(=O)c1cc(Cl)cc(Cl)c1)C2 |
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| Storage condition | 2-8°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DG7580000
- CHEMICAL NAME :
- Benzoic acid, 3,5-dichloro-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo-
- CAS REGISTRY NUMBER :
- 40796-97-2
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 4
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 14 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4563465
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 90 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4563465
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 32 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4563465
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 24 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4563465
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Safety Information
| Risk Phrases | 25 |
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| Safety Phrases | 36 |
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| HS Code | 2933990090 |
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Customs
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| bemesetron |
| Benesetron |
| tropyl3,5-dichlorobenzoate |
| tropine 3,5-dichlorobenzoate |
| 8-methyl-8-azabicyclo<3.2.1>oct-3-yl 3,5-dichlorobenzoate |
| 3-TROPANYL-3,5-DICHLOROBENZOATE |
| TROPANYL 3,5-DICHLOROBENZOATE |
