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112457-95-1

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  • 4,7-Methano-1H-isoindole-1,3(2H)-dione,hexahydro-2-[4-[4-(2-pyrimidinyl)-1- piperazinyl]butyl]-,(3aR,4S,7R,7aS)-rel-,2-hydroxy-1,2,3-propanetricarboxylate (1:1)

    Cas No: 112457-95-1

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  • Shandong Hanjiang Chemical Co., Ltd.
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  • 4,7-Methano-1H-isoindole-1,3(2H)-dione,hexahydro-2-[4-[4-(2-pyrimidinyl)-1- piperazinyl]butyl]-,(3aR,4S,7R,7aS)-rel-,2-hydroxy-1,2,3-propanetricarboxylate (1:1)

    Cas No: 112457-95-1

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  • No Data

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  • Hangzhou J&H Chemical Co., Ltd.
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112457-95-1 Usage

Description

SM 3997 is a compound with various applications across different industries, particularly in pharmaceuticals and drug delivery systems. It is known for its potent activity and selectivity towards specific receptors, making it a valuable asset in the development of anxiolytic and antidepressant medications.

Uses

Used in Pharmaceutical Industry:
SM 3997 is used as an anxiolytic agent for the treatment of anxiety disorders. Its high potency and selectivity for the 5-HT1A receptor (with a Ki value of 27 nM) make it an effective anti-anxiety agent, providing relief for patients suffering from anxiety-related conditions.
Furthermore, SM 3997 is used as an antidepressant, contributing to the treatment of depression by targeting and modulating specific receptors in the brain. Its lower potency at other receptors, such as 5-HT2, 5-HT1C, alpha 1-adrenergic, alpha 2-adrenergic, and dopamine D1 and D2 receptors (Ki values ranging from 1300 to 41000 nM), ensures a focused therapeutic effect with minimal side effects.
Used in Drug Delivery Systems:
In order to enhance the efficacy and bioavailability of SM 3997, various drug delivery systems have been developed. These systems employ organic and metallic nanoparticles as carriers for the compound, aiming to improve its delivery and therapeutic outcomes. By utilizing these advanced drug delivery methods, the overall effectiveness of SM 3997 in treating anxiety and depression can be significantly improved, leading to better patient outcomes and quality of life.

Check Digit Verification of cas no

The CAS Registry Mumber 112457-95-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,2,4,5 and 7 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 112457-95:
(8*1)+(7*1)+(6*2)+(5*4)+(4*5)+(3*7)+(2*9)+(1*5)=111
111 % 10 = 1
So 112457-95-1 is a valid CAS Registry Number.
InChI:InChI=1/C21H29N5O2.C6H8O7/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3,6-7,15-18H,1-2,4-5,8-14H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t15-,16-,17-,18+;/m1./s1

112457-95-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name tandospirone citrate

1.2 Other means of identification

Product number -
Other names 4,7-Methano-1H-isoindole-1,3(2H)-dione,hexahydro-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-,(3aalpha,4beta,7beta,7aalpha)-,2-hydroxy-1,2,3-propanetricarboxylate (1:1)

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:112457-95-1 SDS

112457-95-1Synthetic route

tandospirone
87760-53-0

tandospirone

citric acid
77-92-9

citric acid

tandospirone citrate
112457-95-1

tandospirone citrate

Conditions
ConditionsYield
In diethyl ether; acetone Heating;99%
In ethyl acetate at 20℃; for 2h; Solvent; Temperature;95%
tandospirone citrate
112457-95-1

tandospirone citrate

(3aα,4β,7β,7aα)hexahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4,7-methano-1H-isoindole-1,3(2H)-dione citrate monohydrate

(3aα,4β,7β,7aα)hexahydro-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-4,7-methano-1H-isoindole-1,3(2H)-dione citrate monohydrate

Conditions
ConditionsYield
With water at 8 - 90℃; for 6.5h; Temperature;98%
With water at 90℃; for 0.5h; Temperature;98%

112457-95-1Downstream Products

112457-95-1Relevant articles and documents

A 5-hydroxytryptamine receptor agonist, a preparing method thereof and uses of the receptor agonist

-

Paragraph 0073; 0074, (2017/03/14)

A novel crystal of (3a[alpha],4[beta],7[beta],7a[alpha])-hexahydro-2-[4[4-(2-pyrimidinyl)-1-(piperazinyl)]-butyl]-4,7-methylene-1H-isoindole-1,3(2H)-dione citrate monohydrate, a preparing method thereof and uses of the crystal are disclosed. The molecular formula of the (3a[alpha],4[beta],7[beta],7a[alpha])-hexahydro-2-[4[4-(2-pyrimidinyl)-1-(piperazinyl)]-butyl]-4,7-methylene-1H-isoindole-1,3(2H)-dione citrate monohydrate is CHN5O.C6H8O.H2O. The novel crystal increases stability and solubility of products at present, thus facilitating product preparation and application and increasing medicine safety and effectiveness.

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