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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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S Kawabata et al.
Cell death & disease, 3, e353-e353 (2012-07-25)
Exploiting protein homeostasis is a new therapeutic approach in cancer. Nelfinavir (NFV) is an HIV protease inhibitor that induces endoplasmic reticulum (ER) stress in cancer cells. Under conditions of ER stress, misfolded proteins are transported from the ER back to
Ramesh Rengan et al.
Journal of thoracic oncology : official publication of the International Association for the Study of Lung Cancer, 7(4), 709-715 (2012-03-20)
The objective of this phase I trial was to determine dose-limiting toxicities (DLT) and the maximally tolerated dose of the radiosensitizer Nelfinavir in combination with concurrent chemoradiotherapy in locally advanced non-small cell lung cancer (NSCLC). Nelfinavir (dose level 1: 625
Viracept (nelfinavir mesylate, AG1343): a potent, orally bioavailable inhibitor of HIV-1 protease
Kaldor S, et al.
Journal of medicinal chemistry, 40(24), 3979-3985 (1997)
Ansgar Brüning et al.
Toxicology and applied pharmacology, 264(2), 300-304 (2012-09-01)
Inhibins and activins are gonadal peptide hormones of the transforming growth factor-β super family with important functions in the reproductive system. By contrast, the recently identified inhibin βE subunit, primarily expressed in liver cells, appears to exert functions unrelated to
Camille Bono et al.
Haematologica, 97(7), 1101-1109 (2012-01-25)
Multiple myeloma is characterized by the accumulation of tumor plasma cells in the bone marrow. Despite therapeutic improvements brought by proteasome inhibitors such as bortezomib, myeloma remains an incurable disease. In a variety of human cancers, human immunodeficiency virus protease

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