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Pumosetrag , Serotonin 3 (5-HT3) receptor partial agonist, CAS No.153062-94-3, Serotonin 3 (5-HT3) receptor partial agonist

COA

Grade & Purity:

≥98%

Cas Number: 194093-42-0
Molecular Weight: 339.84
PubChem CID: 154103

In stock

Item Number

P668086

Grouped product items
SKU	Size	Availability	Price
P668086-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$32.90
P668086-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$113.90
P668086-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$193.90
P668086-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$373.90
P668086-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$599.90

View related series

5-HT3 partial agonist (1) Class A GPCR (4138)

Basic Description

Synonyms	Pumosetrag \| N-(3R)-1-Azabicyclo[2.2.2]oct-3-yl-4,7-dihydro-7-oxo-thieno[3,2-b]pyridine-6-carboxamide hydrochloride \| MKC-733 \| DDP-733 \| UVW44TKU66 \| Pumosetrag HCl
Specifications & Purity	≥98%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Action Type	PARTIAL AGONIST
Mechanism of action	Serotonin 3 (5-HT3) receptor partial agonist

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thienopyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thienopyridines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thienopyridines
Alternative Parents	Pyridinecarboxamides Quinuclidines Piperidines Vinylogous amides Thiophenes Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Thienopyridine - Quinuclidine - Piperidine - Pyridine - Heteroaromatic compound - Vinylogous amide - Thiophene - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
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)

HTR3A Tclin 5-hydroxytryptamine receptor 3A (2 Activities)

Discover Target: HTR3A

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

Names and Identifiers

IUPAC Name	N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide;hydrochloride
INCHI	InChI=1S/C15H17N3O2S.ClH/c19-13-10(7-16-11-3-6-21-14(11)13)15(20)17-12-8-18-4-1-9(12)2-5-18;/h3,6-7,9,12H,1-2,4-5,8H2,(H,16,19)(H,17,20);1H/t12-;/m0./s1
InChIKey	XGVADZZDFADEOO-YDALLXLXSA-N
Smiles	C1CN2CCC1C(C2)NC(=O)C3=CNC4=C(C3=O)SC=C4.Cl
Isomeric SMILES	C1CN2CCC1[C@H](C2)NC(=O)C3=CNC4=C(C3=O)SC=C4.Cl
WGK Germany	3
Molecular Weight	339.84
Reaxy-Rn	14242456
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14242456&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Molecular Weight	339.800 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	339.081 Da
Monoisotopic Mass	339.081 Da
Topological Polar Surface Area	89.700 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	499.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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	2

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