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JNJ 303 - 10mM in DMSO, high purity , CAS No.878489-28-2, Channel blocker of K v7.1

COA

Grade & Purity:

Moligand™

10mM in DMSO

Cas Number: 878489-28-2
Molecular Weight: 440.98
PubChem CID: 11575823

In stock

Item Number

J426639

Grouped product items
SKU	Size	Availability	Price	Qty
J426639-1ml	1ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$241.90

Potent and selective IKsblocker

View related series

Compound libraries (12325) Ion channel (2197)

Basic Description

Synonyms	878489-28-2 \| JNJ 303 \| rel-2-(4-Chlorophenoxy)-2-methyl-N-((1S,2R)-5-(methylsulfonamido)adamantan-2-yl)propanamide \| 2-(4-Chlorophenoxy)-N-[(1S,3R)-5-(methanesulfonamido)-2-adamantyl]-2-methylpropanamide \| DTXSID10468834 \| AKOS037649271 \| BS-17730 \| D81230
Specifications & Purity	Moligand™, 10mM in DMSO
Biochemical and Physiological Mechanisms	Potent IKsblocker (IC50= 64 nM). Displays no effects on other cardiac channels; IC50values are 3.3, >10, 11.1 and 12.6μM for INa, ICa, Itoand IKrcurrents respectively. Prolongs QT and causes unprovoked torsades de pointes (TdP).
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	CHANNEL BLOCKER
Mechanism of action	Channel blocker of K v7.1

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol ethers
Alternative Parents	Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Organosulfonamides Organic sulfonamides Aryl chlorides Aminosulfonyl compounds Secondary carboxylic acid amides Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid amide - Organic sulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
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)

KCNQ1 Tclin Potassium voltage-gated channel subfamily KQT member 1 (0 Activities)

Discover Target: KCNQ1

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

Names and Identifiers

IUPAC Name	2-(4-chlorophenoxy)-N-[(1S,3R)-5-(methanesulfonamido)-2-adamantyl]-2-methylpropanamide
INCHI	InChI=1S/C21H29ClN2O4S/c1-20(2,28-17-6-4-16(22)5-7-17)19(25)23-18-14-8-13-9-15(18)12-21(10-13,11-14)24-29(3,26)27/h4-7,13-15,18,24H,8-12H2,1-3H3,(H,23,25)/t13?,14-,15+,18?,21?
InChIKey	OSGIRCJRKSAODN-DJASPMHUSA-N
Smiles	CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)NS(=O)(=O)C)OC4=CC=C(C=C4)Cl
Isomeric SMILES	CC(C)(C(=O)NC1[C@@H]2CC3C[C@H]1CC(C2)(C3)NS(=O)(=O)C)OC4=CC=C(C=C4)Cl
Molecular Weight	440.98
Reaxy-Rn	25836969
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25836969&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	441.000 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	440.154 Da
Monoisotopic Mass	440.154 Da
Topological Polar Surface Area	92.900 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	726.000
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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