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1044589-82-3

中文名稱 7-脫氮-2'-C-乙炔腺苷
英文名稱 7-Deaza-2'-C-ethynyladenosine
CAS 1044589-82-3
分子式 C13H14N4O4
分子量 290.27
MOL 文件 1044589-82-3.mol
更新日期 2024/07/23 16:48:07
1044589-82-3 結(jié)構(gòu)式 1044589-82-3 結(jié)構(gòu)式

基本信息

中文別名
7-脫氮-2'-C-乙炔腺苷
英文別名
NITD008
7-Deaza-2'-C-ethynyladenosine
7-Deaza-2'-C-acetylene-adenosine
7-(2-C-Ethynyl-β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 7-(2-C-ethynyl-β-D-ribofuranosyl)-
(2R,3R,4R,5R)-2-(4-Amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-ethynyl-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

物理化學(xué)性質(zhì)

沸點(diǎn)631.8±55.0 °C(Predicted)
密度1?+-.0.1 g/cm3(Predicted)
儲存條件-20°C儲存
溶解度溶于二甲基亞砜
酸度系數(shù)(pKa)10.48±0.70(Predicted)
形態(tài)Solid
顏色White to gray

常見問題列表

生物活性
NITD008是一種有效的和選擇性的黃病毒 (flaviviruses) 抑制劑,抑制登革熱病毒2型 (Dengue Virus Type 2 (DENV-2)) 的 EC50 值為0.64 μM。
靶點(diǎn)

EC50: 0.64 μM ( DENV-2 )

體外研究

NITD008 potently inhibits other, including Dengue virus (DENV), West Nile virus, yellow fever virus, and Poissan virus. NITD008 inhibits DENV-2 in a dose-responsive manner, with an EC 50 value of 0.64 μM; treatment with 9 μM compound reduces viral titer by >104-fold. NITD008 also inhibits a luciferase-reporting replicon of hepatitis C virus (HCV, genotype 1b), a member from the genus Hepacivirus, with an EC 50 value of 0.11 μM.

體內(nèi)研究

NITD008 is orally bioavailable and has good pharmacokinetic properties. NITD008 exhibits the best pharmacokinetic parameters when formulated using 6 N of HCl (1.5 equimolar amount), 1 N of NaOH (pH adjusted to 3.5), and 100 mM citrate buffer (pH 3.5). Following i.v. injection, NITD008 has a high volume of distribution (3.71 L/kg) and a low systemic clearance (31.11 mL/min per kg), resulting in a long elimination half-life (t 1/2 =4.99 h). After p.o. dosing, NITD008 is rapidly absorbed (time of peak plasma concentration=0.5 h), with a maximal plasma concentration of 3 μM and bioavailability of 48%. Treatment of the mice immediately after viral infection with 1 mg/kg of NITD008 does not reduce mortality, but treatment with 3 mg/kg partially protects and treatment with ≥10 mg/kg completely protects the infected mice from death. NITD008 can suppress peak viremia, decrease cytokine elevation, and prevent death.

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