Shanghai Nianxing Industrial Co., Ltd
China
Product Name: MDL 72222
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Purity: 99.0%
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DC Chemicals Limited
China
Product Name: Bemesetron (MDL 72222)
Price: $800.0/100mg $1600.0/250mg $3200.0/1g
Purity: 98.0%
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ShangHai DC Chemicals Co.,Ltd
China
Product Name: Bemesetron (MDL 72222)
Price: ￥Inquiry/1g
Purity: 98.9%
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40796-97-2

40796-97-2 structure

40796-97-2 structure

Name: MDL 72222
Chemical Name: 1aH,3a,5a,H-tropan-3-yl-3,5-dichloro-benzoate
CAS Number: 40796-97-2
Molecular Formula: C₁₅H₁₇Cl₂NO₂
Molecular Weight: 314.20700
Catalog: Signaling Pathways GPCR/G Protein 5-HT Receptor
Create Date: 2018-07-29 13:51:14
Modify Date: 2024-01-21 14:12:35
Bemesetron (MDL 72222) is a selective 5-HT3 receptor antagonist with an IC50 of 0.33 nM[1]. Neuroprotective effects[2].

Name	1aH,3a,5a,H-tropan-3-yl-3,5-dichloro-benzoate
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

Description	Bemesetron (MDL 72222) is a selective 5-HT3 receptor antagonist with an IC50 of 0.33 nM[1]. Neuroprotective effects[2].
Related Catalog	Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor Research Areas >> Neurological Disease
Target	5-HT3 Receptor:0.33 nM (IC50)
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].
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].
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.

Density	1.344g/cm3
Boiling Point	406.507ºC at 760 mmHg
Molecular Formula	C₁₅H₁₇Cl₂NO₂
Molecular Weight	314.20700
Flash Point	199.648ºC
Exact Mass	313.06400
PSA	29.54000
LogP	3.71330
Index of Refraction	1.597
Storage condition	2-8°C

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 DATA

ACUTE 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

Risk Phrases	25
Safety Phrases	36
HS Code	2933990090

2905-62-6 structure

2905-62-6

120-29-6 structure

120-29-6

~%

40796-97-2 structure

40796-97-2

Literature: Merrell Dow Pharmaceuticals Inc. Patent: US4563465 A1, 1986 ;

Precursor 2
2905-62-6 120-29-6
DownStream 0

HS Code	2933990090
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%