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NS13001 , CAS No.1063331-94-1, Activator of K Ca2.2;Activator of K Ca2.3

COA

Grade & Purity:

Moligand™

≥97%

Cas Number: 1063331-94-1
Molecular Weight: 353.8
PubChem CID: 44472568

In stock

Item Number

N412979

Grouped product items
SKU	Size	Availability	Price
N412979-5mg	5mg	3	$129.90
N412979-10mg	10mg	3	$199.90
N412979-25mg	25mg	3	$379.90
N412979-50mg	50mg	3	$569.90
N412979-100mg	100mg	3	$879.90
N412979-250mg	250mg	2	$1,799.90

View related series

Ion channel (2197) KCa2.2 Activator (10) KCa2.3 Activator (8) Membrane Transporter/Ion Channel (1822) Potassium Channel (253)

Basic Description

Synonyms	EX-A4859 \| BCP15598 \| AS-48591 \| ns13001 \| N-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-9-methyl-9H-purin-6-amine \| NS-13001 \| NS13001;NS13001 \| AC-36675 \| DVQOPNIPUIOXHU-UHFFFAOYSA-N \| F51669 \| HY-102070 \| A925118 \| 1063331-94-1 \| SCHEMBL183176 \|
Specifications & Purity	Moligand™, ≥97%
Biochemical and Physiological Mechanisms	NS13001 is a potent, selective, orally active allosteric positive modulator of SK channels (small conductance calcium-activated potassium channels) with EC50 of 1.8 μM and 0.14 μM for SK2 and SK3, respectively.
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.
Grade	Moligand™
Action Type	ACTIVATOR
Mechanism of action	Activator of K Ca2.2;Activator of K Ca2.3
Product Description	Information NS13001 is a potent, selective, orally active allosteric positive modulator of SK channels (small conductance calcium-activated potassium channels) with EC50 of 1.8 μM and 0.14 μM for SK2 and SK3, respectively.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Imidazopyrimidines
    - Subclass Purines and purine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Imidazopyrimidines
Subclass	Purines and purine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	6-aminopurines
Alternative Parents	Aniline and substituted anilines Chlorobenzenes Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Aryl chlorides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives Amines
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	6-aminopurine - Aniline or substituted anilines - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Imidolactam - Benzenoid - Pyrimidine - Monocyclic benzene moiety - N-substituted imidazole - Heteroaromatic compound - Azole - Pyrazole - Imidazole - Azacycle - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole 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)

KCNN3 Tchem Small conductance calcium-activated potassium channel protein 3 (1 Activities)

Discover Target: KCNN3

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

KCNN2 Tchem Small conductance calcium-activated potassium channel protein 2 (1 Activities)

Discover Target: KCNN2

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

Names and Identifiers

IUPAC Name	N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-9-methylpurin-6-amine
INCHI	InChI=1S/C17H16ClN7/c1-10-8-11(2)25(23-10)17-21-15(14-16(22-17)24(3)9-19-14)20-13-6-4-12(18)5-7-13/h4-9H,1-3H3,(H,20,21,22)
InChIKey	DVQOPNIPUIOXHU-UHFFFAOYSA-N
Smiles	CC1=CC(=NN1C2=NC(=C3C(=N2)N(C=N3)C)NC4=CC=C(C=C4)Cl)C
Isomeric SMILES	CC1=CC(=NN1C2=NC(=C3C(=N2)N(C=N3)C)NC4=CC=C(C=C4)Cl)C
Alternate CAS	1063331-94-1
MeSH Entry Terms	4-(chlorophenyl)-(2-(3,5-dimethylpyrazol-1-yl)-9-methyl-9H-purin-6-yl)amine;NS13001
Molecular Weight	353.8
Reaxy-Rn	18287022
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18287022&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

12 results found

Lot Number	Certificate Type	Date	Item
B2421635	Certificate of Analysis	Jan 11, 2024	N412979
B2421636	Certificate of Analysis	Jan 11, 2024	N412979
B2421637	Certificate of Analysis	Jan 11, 2024	N412979
B2421638	Certificate of Analysis	Jan 11, 2024	N412979
B2421639	Certificate of Analysis	Jan 11, 2024	N412979
B2421640	Certificate of Analysis	Jan 11, 2024	N412979
B2421641	Certificate of Analysis	Jan 11, 2024	N412979
B2421642	Certificate of Analysis	Jan 11, 2024	N412979
B2421643	Certificate of Analysis	Jan 11, 2024	N412979
B2421644	Certificate of Analysis	Jan 11, 2024	N412979
B2421645	Certificate of Analysis	Jan 11, 2024	N412979
B2421651	Certificate of Analysis	Jan 11, 2024	N412979

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Chemical and Physical Properties

Molecular Weight	353.800 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	353.116 Da
Monoisotopic Mass	353.116 Da
Topological Polar Surface Area	73.500 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	458.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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