MDL 72222

Modify Date: 2024-01-21 14:12:35

MDL 72222 Structure
MDL 72222 structure
 Common Name MDL 72222
CAS Number 40796-97-2 Molecular Weight 314.20700
Density 1.344g/cm3 Boiling Point 406.507ºC at 760 mmHg
Molecular Formula C15H17Cl2NO2 Melting Point N/A
MSDS N/A Flash Point 199.648ºC

 Use of MDL 72222


Bemesetron (MDL 72222) is a selective 5-HT3 receptor antagonist with an IC50 of 0.33 nM[1]. Neuroprotective effects[2].

 Names

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

 MDL 72222 Biological Activity

Description Bemesetron (MDL 72222) is a selective 5-HT3 receptor antagonist with an IC50 of 0.33 nM[1]. Neuroprotective effects[2].
Related Catalog
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.

 Chemical & Physical Properties

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

 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 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

 Safety Information

Risk Phrases 25
Safety Phrases 36
HS Code 2933990090

 Synthetic Route

3,5-Dichlorobenzoyl chloride structure

3,5-Dichloroben...

CAS#:2905-62-6

Tropine structure

Tropine

CAS#:120-29-6

~%

MDL 72222 Structure

MDL 72222

CAS#:40796-97-2

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

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

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%

 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
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Chemsrc provides MDL 72222(CAS#:40796-97-2) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of MDL 72222 are included as well.>> amp version: MDL 72222

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