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Tropisetron - 10mM in DMSO, high purity , CAS No.89565-68-4(DMSO), Antagonist of 5-HT 3A;Antagonist of 5-HT 4 receptor;Antagonist of glycine receptor α1 subunit;Antagonist of glycine receptor α2 subunit;Antagonist of glycine receptor β subunit

COA

Grade & Purity:

Moligand™

10mM in DMSO

Cas Number: 89565-68-4(DMSO)
Molecular Weight: 284.35
PubChem CID: 656665

In stock

Item Number

T580550

Grouped product items
SKU	Size	Availability	Price	Qty
T580550-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$153.90

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Compound libraries (12325)

Basic Description

Synonyms	tropisetron \| 89565-68-4 \| Navoban \| Tropisetronum \| Novaban \| [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate \| Tropisteron \| ICS 205930 \| Tropisetron (INN) \| (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate \| Navoban (TN) \| ICF 2
Specifications & Purity	Moligand™, 10mM in DMSO
Biochemical and Physiological Mechanisms	Tropisetron (SDZ-ICS-930 free base) is a selective 5-HT3 receptor antagonist and α7-nicotinic receptor agonist with an IC50 of 70.1 ± 0.9 nM for 5-HT3 receptor. IC50 value: 70.1 ± 0.9 nM Target: 5-HT3 receptor in vitro: Tropisetron specifically inhibited
Storage Temp	Store at -80°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	ANTAGONIST
Mechanism of action	Antagonist of 5-HT 3A;Antagonist of 5-HT 4 receptor;Antagonist of glycine receptor α1 subunit;Antagonist of glycine receptor α2 subunit;Antagonist of glycine receptor β subunit

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indolecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indolecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Indolecarboxylic acids and derivatives
Alternative Parents	Tropane alkaloids Indoles Pyrrole carboxylic acids and derivatives Benzenoids Substituted pyrroles Piperidines N-alkylpyrrolidines Vinylogous amides Heteroaromatic compounds Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indolecarboxylic acid derivative - Indole - Tropane alkaloid - Pyrrole-3-carboxylic acid or derivatives - Piperidine - Benzenoid - N-alkylpyrrolidine - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrolidine - Pyrrole - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
External Descriptors	Not available
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)

GLRA2 Tchem Glycine receptor subunit alpha-2 (1 Activities)

Discover Target: GLRA2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HTR4 Tclin 5-hydroxytryptamine receptor 4 (2 Activities)

Discover Target: HTR4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GLRA1 Tclin Glycine receptor subunit alpha-1 (1 Activities)

Discover Target: GLRA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GLRB Tclin Glycine receptor subunit beta (1 Activities)

Discover Target: GLRB

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

IUPAC Name	[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate
INCHI	InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13?
InChIKey	ZNRGQMMCGHDTEI-FUNVUKJBSA-N
Smiles	CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43
Isomeric SMILES	CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CNC4=CC=CC=C43
PubChem CID	656665
Molecular Weight	284.35

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : ≥ 100 mg/mL (351.68 mM)；H2O : ≥ 55 mg/mL (193.42 mM)
Molecular Weight	284.350 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	284.152 Da
Monoisotopic Mass	284.152 Da
Topological Polar Surface Area	45.300 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	400.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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