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NEK6 inibitor 8 - ≥98%, high purity , CAS No.591239-68-8

COA

Grade & Purity:

≥98%

Cas Number: 591239-68-8
PubChem CID: 2275754

In stock

Item Number

N769774

Grouped product items
SKU	Size	Availability	Price
N769774-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$493.90
N769774-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$765.90
N769774-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,509.90

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Cell Cycle (2830)

Basic Description

Specifications & Purity	≥98%
Storage Temp	Store at -20°C,Desiccated
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	NEK6 inibitor 8 (ZINC05007751) is a novel inhibitor of the NIMA-associated kinase NEK6 with an IC50 of 3.4 uM, Compound 8 was highly selective for NEK1 and NEK6, whereas no significant activity was observed for NEK2, NEK7, and NEK9; dispersed antiproliferative activity against a panel of human cancer cell lines (IC50 < 100 uM).

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Hydropyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Hydropyridines
Intermediate Tree Nodes	Not available
Direct Parent	Hydropyridines
Alternative Parents	Benzene and substituted derivatives N-unsubstituted carboxylic acid imides Heteroaromatic compounds Furans Dicarboximides Oxacyclic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Monocyclic benzene moiety - Hydropyridine - Benzenoid - Carboxylic acid imide - Dicarboximide - Furan - Carboxylic acid imide, n-unsubstituted - Heteroaromatic compound - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Oxacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as hydropyridines. These are compounds containing a hydrogenated pyridine ring (i.e. containing less than the maximum number of double bonds.).
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

Names and Identifiers

IUPAC Name	(5Z)-4-methyl-2,6-dioxo-5-[(5-phenylfuran-2-yl)methylidene]pyridine-3-carbonitrile
INCHI	InChI=1S/C18H12N2O3/c1-11-14(17(21)20-18(22)15(11)10-19)9-13-7-8-16(23-13)12-5-3-2-4-6-12/h2-9H,1H3,(H,20,21,22)/b14-9-
InChIKey	SNLNUUWCOAPJED-ZROIWOOFSA-N
Smiles	CC1=C(C(=O)NC(=O)C1=CC2=CC=C(O2)C3=CC=CC=C3)C#N
Isomeric SMILES	CC\1=C(C(=O)NC(=O)/C1=C\C2=CC=C(O2)C3=CC=CC=C3)C#N
PubChem CID	2275754

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	304.300 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	304.085 Da
Monoisotopic Mass	304.085 Da
Topological Polar Surface Area	83.100 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	632.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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