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Merck

PZ0013

Sigma-Aldrich

奈非那韦 甲磺酸酯 水合物

≥98% (HPLC)

别名:

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 甲磺酸酯, AG-1343, 奈非那韦 甲磺酸酯 水合物

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About This Item

经验公式(希尔记法):
C32H45N3O4S · CH3SO3H · xH2O
分子量:
663.89 (anhydrous basis)
分類程式碼代碼:
12352200
PubChem物質ID:
NACRES:
NA.77

化驗

≥98% (HPLC)

形狀

powder

顏色

white to off-white

溶解度

DMSO: ≥2 mg/mL

儲存溫度

2-8°C

SMILES 字串

CC1=C(O)C=CC=C1C(N[C@@H](CSC2=CC=CC=C2)[C@H](O)CN3[C@H](C(NC(C)(C)C)=O)C[C@@]4([H])[C@@](CCCC4)([H])C3)=O.[CH2]S(O)(=O)=O

InChI

1S/C32H45N3O4S.CH4O3S/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;1-5(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);1H3,(H,2,3,4)/t22-,23+,26-,27-,29+;/m0./s1

InChI 密鑰

NQHXCOAXSHGTIA-SKXNDZRYSA-N

應用

水合甲磺奈非那韦已用于测试其对系统性硬化症 (Ssc) 患者肺纤维化的治疗效果。此外,它还曾与硼替佐米联用,以选择性杀死结节性硬化症复合物 2 (TSC2)缺陷的肿瘤细胞。

生化/生理作用

水合甲磺奈非那韦又称 AG1343,用作获得性免疫缺陷综合症 (AIDS) 的治疗药剂。它可发挥抗纤维化剂的作用,用于治疗系统性硬化症 (Ssc) 患者的肺纤维化。此外,水合甲磺奈非那韦还可通过激活蛋白磷酸酶 2 (PP-2) 并阻断巨噬细胞中的促分裂原活化蛋白激酶 (MAPK) 信号传导,减轻炎症作用。与此同时,它还可刺激自噬,从而表现出抑癌特性。
奈非那韦是一种HIV蛋白酶抑制剂、抗逆转录病毒和抗肿瘤剂。

特點和優勢

这种化合物是ADME毒性研究的特色产品。点击此处发现更多特色ADME毒性产品。在sigma.com/discover-bsm可了解更多关于生物活性小分子的其他研究领域。

儲存類別代碼

11 - Combustible Solids

水污染物質分類(WGK)

WGK 3

閃點(°F)

Not applicable

閃點(°C)

Not applicable


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Karin Nielsen-Saines et al.
The New England journal of medicine, 366(25), 2368-2379 (2012-06-22)
The safety and efficacy of adding antiretroviral drugs to standard zidovudine prophylaxis in infants of mothers with human immunodeficiency virus (HIV) infection who did not receive antenatal antiretroviral therapy (ART) because of late identification are unclear. We evaluated three ART
The Antiretroviral Agent Nelfinavir Mesylate: A Potential Therapy for Systemic Sclerosis
Sanchez C, et al.
Arthritis & Rheumatology (Hoboken, N.J.), 70(1), 115-126 (2018)
Nancy L Sheehan et al.
Molecules (Basel, Switzerland), 17(1), 688-702 (2012-01-14)
β-Carotene supplements are often taken by individuals living with HIV-1. Contradictory results from in vitro studies suggest that β-carotene may inhibit or induce cytochrome P450 enzymes and transporters. The study objective was to investigate the effect of β-carotene on the
Simmy Thomas et al.
Cancer letters, 325(1), 63-71 (2012-06-06)
The cellular processes of autophagy and endoplasmic reticulum stress (ERS) appear to be interconnected, and it has been proposed that autophagy may serve to reduce ERS via removal of terminally misfolded and aggregated proteins. Conversely, there are indications that blockage
Joong Sup Shim et al.
Journal of the National Cancer Institute, 104(20), 1576-1590 (2012-10-09)
Human epidermal growth factor receptor 2 (HER2)-positive breast cancer is highly aggressive and has higher risk of recurrence than HER2-negative cancer. With few treatment options available, new drug targets specific for HER2-positive breast cancer are needed. We conducted a pharmacological

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