Tianeptine Sodium Salt Hydrate - Moligand™, ≥98%(HPLC), used for Tianeptine sodium salt hydrate has been used as a selective serotonin reuptake enhancer (SSRE) positive control during serotonin transporter (SERT) assay in human embryonic kidney 293 cell l

CAS: 30123-17-2 Cat. No.: T162853 Molecular Weight: 458.93(anhydrous basis) EC Number: 250-059-3 PubChem CID: 23663953

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

7-[[3-Chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl]amino]heptanoic Acid S,S-Dioxide Sodium Salt | Q5814478 | sodium;7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanoate | AS-13539 | DTXSID4046737 | CCG-269

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Tianeptine is a μ-opioid receptor (MOR) as well as a δ-opioid receptor (DOR) agonist.

Specifications

Synonyms

7-[[3-Chloro-6, 11-dihydro-6-methyldibenzo[c, f][1, 2]thiazepin-11-yl]amino]heptanoic Acid S, S-Dioxide Sodium Salt | Q5814478 | sodium;7-[(3-chloro-6-methyl-5, 5-dioxo-11H-benzo[c][2, 1]benzothiazepin-11-yl)amino]heptanoate | AS-13539 | DTXSID4046737 | CCG-269

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

Selective 5-HT uptake facilitator. Shows antidepressant, analgesic, neuroprotective and cognitive enhancing effects in vivo.

Application

Tianeptine sodium salt hydrate has been used as a selective serotonin reuptake enhancer (SSRE) positive control during serotonin transporter (SERT) assay in human embryonic kidney 293 cell lines.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

AGONIST

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504769481
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769481
• Canonical Smiles: CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCCCC(=O)[O-].[Na+]
• IUPAC Name: sodium;7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanoate
• InChIKey: ZLBSUOGMZDXYKE-UHFFFAOYSA-M
• INCHI: 1S/C21H25ClN2O4S.Na/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28;/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26);/q;+1/p-1
• Isomeric SMILES: CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCCCC(=O)[O-].[Na+]
• Alternate CAS: 72797-41-2
• PubChem CID: 23663953
• Molecular Weight: 458.93(anhydrous basis)

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Aralkylamines Organosulfonamides Aryl chlorides Benzenoids Amino acids Carboxylic acid salts Azacyclic compounds Organic metal halides Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic sodium salts Organic zwitterions Organochlorides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Medium-chain fatty acid - Aralkylamine - Aryl chloride - Aryl halide - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Amino acid or derivatives - Carboxylic acid salt - Amino acid - Carboxylic acid derivative - Organic metal halide - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic zwitterion - Organic sodium salt - Organic salt - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

NR1I2 Tchem Pregnane X receptor (6667 Activities)

Discover Target: NR1I2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

Discover Target: Nr1i2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Melt Point(°C): 184 °C
• Molecular Weight: 458.900 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 458.104 Da
• Monoisotopic Mass: 458.104 Da
• Topological Polar Surface Area: 97.900 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 660.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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