(3S,4AS,8AS)-N-(叔丁基)-2-((2R,3R)-2-羟基-3-(3-羟基-2-甲基苯甲酰胺基)-4-(苯硫基)丁基)十氢异喹啉-3-羧酰胺

中文名	奈非那韦
英文名	Nelfinavir
别名	萘非那韦奈非那韦娜芙维亚奈非那维尼非那韦奈非那韦杂质甲磺酸萘非那韦 (3S,4AS,8AS)-N-(叔丁基)-2-((2R,3R)-2-羟基-3-(3-羟基-2-甲基苯甲酰胺基)-4-(苯硫基)丁基)十氢异喹啉-3-羧酰胺 2-[(2R,3R)-2-羟基-3-[(3-羟基-2-甲基苯甲酰)氨基]-4-(苯基硫)丁基]-(3S,4aS,8aS)-N-叔丁基十氢异喹啉-3-甲酰胺
英文别名	AG 1341 AG1341 AG-1341 nefinavir NELFINAVIR Nelfinavir 8a-beta))-a-bet Nelfinavir Regeoisomer 3-isoquinolinecarboxamide,n-(1,1-dimethylethyl)decahydro-2-(2-hydroxy-3-((3-hy (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl]decahydroisoquinoline-3-carboxamide (3S,4aS,8aS)-N-(1,1-Dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylthio)butyl]-3-isoquinolinecarboxamide N-tert-butyl-2-[2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-4-(phenylthio)butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
CAS	159989-64-7
EINECS	1533716-785-6
化学式	C32H45N3O4S
分子量	567.78
InChI	InChI=1/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1
密度	1.22±0.1 g/cm3(Predicted)
熔点	185-186 °C
沸点	786.8±60.0 °C(Predicted)
比旋光度	D -119.23° (c = 0.26 in methanol)
闪点	429.7°C
水溶性	7g/L(temperature not stated)
蒸汽压	4.38E-26mmHg at 25°C
折射率	1.618
酸度系数	pKa1 6.0; pKa2 11.06(at 25℃)
存储条件	under inert gas (nitrogen or Argon) at 2–8 °C
体外研究	Nelfinavir (AG1341) (1-10 μM; 48 hours) inhibits the proliferation of multiple myeloma cells. Nelfinavir inhibits 26S chymotrypsin-like proteasome activity, impairs proliferation and triggers apoptosis of the myeloma cell lines and fresh plasma cells. Nelfinavir (1-10 μM; 17 hours) induces apoptosis of multiple myeloma cell lines. Nelfinavir (5 μM; 0-24 hours) decreases the phosphorylation of AKT. Nelfinavir activates the cleavage of caspase-3, decreases the phosphorylation of AKT, STAT-3, ERK1/2, and activates the pro-apoptotic pathway of the unfolded protein response system. Cell Proliferation Assay Cell Line: RPMI, LP1, U266, OPM2 and MM1S cells Concentration: 1, 2, 5, 10 μM Incubation Time: 48 hours Result: Inhibited the proliferation of RPMI, LP1, U266, OPM2 and MM1S cell lines in a dose-dependent manner with an IC 50 of 1-5 μM. Apoptosis Analysis Cell Line: LP1 and U266 cells Concentration: 1-10 μM Incubation Time: 17 hours Result: Induced a dose-dependent increase in the percentage of annexin V + /propidium iodide + cells. Western Blot Analysis Cell Line: U266 cells Concentration: 5 μM Incubation Time: 0-24 hours Result: The level of AKT phosphorylation in U266 cells decreased.
体内研究	Nelfinavir (AG1341) (75 mg/kg; i.p.; 5 days a week for 21 days) decreases multiple myeloma cell growth in NOD/SCID mice. Animal Model: NOD/SCID mice (bearing U266-luc cells) Dosage: 75 mg/kg Administration: I.p.; 5 days a week for 21 days Result: Decreased MM cell growth in NOD/SCID mice.

(3S,4AS,8AS)-N-(叔丁基)-2-((2R,3R)-2-羟基-3-(3-羟基-2-甲基苯甲酰胺基)-4-(苯硫基)丁基)十氢异喹啉-3-羧酰胺 - 配置溶液浓度参考

	1mg	5mg	10mg
1 mM	1.761 ml	8.806 ml	17.612 ml
5 mM	0.352 ml	1.761 ml	3.522 ml
10 mM	0.176 ml	0.881 ml	1.761 ml
5 mM	0.035 ml	0.176 ml	0.352 ml

最后更新：2024-01-02 23:10:35

(3S,4AS,8AS)-N-(叔丁基)-2-((2R,3R)-2-羟基-3-(3-羟基-2-甲基苯甲酰胺基)-4-(苯硫基)丁基)十氢异喹啉-3-羧酰胺

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CAS: 159989-64-7
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产品名: Nelfinavir 去供应商网站查看询盘
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产品名: NELFINAVIR 去供应商网站查看询盘
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