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NNK

CAT: 0804-HY-126477-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-126477-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NNK is a nicotine-nitrosated derivative. NNK simultaneously stimulates Bcl2 phosphorylation exclusively at Ser70 and c-Myc at Thr58 and Ser62 through activation of both ERK1/2 and PKCα[1]. NNK induces survival and proliferation of human lung cancer cells. NNK can be used for lung cancer mice model structure[2].
CAS Number
64091-91-4
UNSPSC
12352005
Hazard Statement
H301, H317, H351
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/nnk.html
Concentration
10mM
Purity
99.98
Solubility
DMSO : ≥ 62.5 mg/mL
Smiles
O=C(C1=CC=CN=C1)CCCN(C)N=O
Molecular Formula
C10H13N3O2
Molecular Weight
207.23
Precautions
H301, H317, H351
References & Citations
[1]Jin Z, et al. Tobacco-specific nitrosamine 4- (methylnitrosamino) -1- (3-pyridyl) -1-butanone promotes functional cooperation of Bcl2 and c-Myc through phosphorylation in regulating cell survival and proliferation. J Biol Chem. 2004;279 (38) :40209-40219.|[2]Castonguay A, et al. Lung tumorigenicity of NNK given orally to A/J mice: its application to chemopreventive efficacy studies. Exp Lung Res. 1991;17 (2) :485-499.|[3]Ge GZ, et al. Tobacco carcinogen NNK-induced lung cancer animal models and associated carcinogenic mechanisms. Acta Biochim Biophys Sin (Shanghai) . 2015 Jul;47 (7) :477-87. |[4]Razani-Boroujerdi S, et al. Early manifestations of NNK-induced lung cancer: role of lung immunity in tumor susceptibility. Am J Respir Cell Mol Biol. 2007 Jan;36 (1) :13-9.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanone

4-(N-Nitrosomethylamino)-1-(3-pyridyl)1-butanone can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC).

CAS Number64091-91-4
PubChem CID47289
IUPAC NameN-methyl-N-(4-oxo-4-pyridin-3-ylbutyl)nitrous amide
Molecular FormulaC10H13N3O2
Molecular Weight207.23
XLogP0.8
Topological Polar Surface Area62.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity221
SMILES
CN(CCCC(=O)C1=CN=CC=C1)N=O
InChI
InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3
InChIKey
FLAQQSHRLBFIEZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanone
CAS: 64091-91-4
CID: 47289
Formula: C10H13N3O2
MW: 207.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight207.23
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass207.100776666
Monoisotopic Mass207.100776666
Topological Polar Surface Area62.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity221
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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