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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
CAS号:
159989-65-8
分子量:
663.89 (anhydrous basis)
UNSPSC代码:
12352200
PubChem化学物质编号:
329823682
NACRES:
NA.77

质量水平

100

方案

≥98% (HPLC)

表单

powder

颜色

white to off-white

溶解性

DMSO: ≥2 mg/mL

储存温度

2-8°C

SMILES字符串

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 key

NQHXCOAXSHGTIA-SKXNDZRYSA-N

应用

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

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。
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。

特点和优势

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。

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
0000339837
0000339837
0000163011
0000163011
0000163012

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