NNK-d3, 4-(Methyl-d3-nitrosoamino)-1-(3-pyridinyl)-1-butanone

Modify Date: 2025-09-04 17:14:03

NNK-d3, 4-(Methyl-d3-nitrosoamino)-1-(3-pyridinyl)-1-butanone structure	Common Name	NNK-d3, 4-(Methyl-d3-nitrosoamino)-1-(3-pyridinyl)-1-butanone
	CAS Number	86270-92-0	Molecular Weight	210.24800
	Density	1.17g/cm3	Boiling Point	423.9ºC at 760 mmHg
	Molecular Formula	C₁₀H₁₀D₃N₃O₂	Melting Point	N/A
	MSDS	Chinese USA	Flash Point	210.2ºC
	Symbol	GHS06	Signal Word	Danger

Use of NNK-d3, 4-(Methyl-d3-nitrosoamino)-1-(3-pyridinyl)-1-butanone

NNK-d3 is the deuterium labeled NNK (HY-126477)[1][2].

Name	N-(4-oxo-4-pyridin-3-ylbutyl)-N-(trideuteriomethyl)nitrous amide
Synonym	More Synonyms

Description	NNK-d3 is the deuterium labeled NNK (HY-126477)[1][2].
Related Catalog	Research Areas >> Cancer
In Vitro	氢、碳和其他元素的稳定重同位素已被纳入药物分子中，主要作为药物开发过程中定量的示踪剂。氘化引起了人们的关注，因为它可能影响药物的药代动力学和代谢谱[1]。 NNK (100 pM；0-60 分钟) 刺激 PKCα 和 MAPKs ERK1/2 的激活，直接诱导 c-Myc 磷酸化[2]。 NNK (100 pM；96 小时) 增强 WT 细胞增殖，但不影响表达 AA 的 c-Myc 突变体[2]。
References	[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. [2]. 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.

Density	1.17g/cm3
Boiling Point	423.9ºC at 760 mmHg
Molecular Formula	C₁₀H₁₀D₃N₃O₂
Molecular Weight	210.24800
Flash Point	210.2ºC
Exact Mass	210.12000
PSA	62.63000
LogP	1.65770
Index of Refraction	1.557
InChIKey	FLAQQSHRLBFIEZ-FIBGUPNXSA-N
SMILES	CN(CCCC(=O)c1cccnc1)N=O

MSDS(Chinese)

Symbol	GHS06
Signal Word	Danger
Hazard Statements	H301-H317
Precautionary Statements	P280-P301 + P310
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes	Xn
Risk Phrases	22-43
Safety Phrases	36/37
RIDADR	UN 2811 6.1 / PGIII

NNK-d3

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