AKR1C3-IN-1

• 常用名: AKR1C3-IN-1
• 英文名: AKR1C3-IN-1
• CAS号: 327092-81-9
• 分子量: 317.36000
• 密度: N/A
• 沸点: N/A
• 分子式: C₁₆H₁₅NO₄S
• 熔点: N/A
• 闪点: N/A

AKR1C3-IN-1用途

AKR1C3-IN-1 是一种有效的,高度选择性的 AKR1C3 抑制剂,IC50 值为 13 nM。

AKR1C3-IN-1名称

• 中文名: 3-(3,4-二氢异喹啉-2(1H)-基磺酰基)苯甲酸
• 英文名: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid

AKR1C3-IN-1生物活性

• 描述: AKR1C3-IN-1 是一种有效的,高度选择性的 AKR1C3 抑制剂,IC50 值为 13 nM。
• 相关类别:
  信号通路 >> 其他 >> 其他
  研究领域 >> 其他
• 靶点实验:

  IC50: 13 nM (AKR1C3)[1]

• 体外研究: AKR1C3-IN-1显示较弱的活性,对AKR1C1为20.3±3.8μM,对AKR1C2和AKR1C4为>30μM。 AKR1C3-IN-1抑制AKR1C3活性(抑制PR-104H形成),IC50为0.027±0.002μM[1]。
• 激酶实验: 竞争性荧光测定法用于测量AKR1C酶活性，其中对AKR1C酶同种型具有选择性的非荧光酮探针（探针5）在AKR1C酶和NADPH存在下被还原为荧光醇。简而言之，将纯化的蛋白质（2μg/ mLAKR1C1,1μg/ mLAKR1C2,2μg/ mL AKR1C3和5μg/ mL AKR1C4）与40μM探针5，AKR1C3-IN-1和50μMNADPH一起孵育。在37℃下，将10mM MOPS（pH = 7.2），130mM NaCl，1mM DTT和0.01％Triton-X-100的测定缓冲液保持1小时。通过加入35mM NaOH终止反应，并在SpectraMax M2酶标仪中以420 / 510nM的激发/发射波长读取荧光。在2％DMSO中以0.1nM和100μM之间的多种浓度测试化合物和已知的AKR1C3抑制剂（氟芬那酸，吲哚美辛，萘普生，甲氯芬那酸，S（+） - 布洛芬和氟比洛芬）以产生AKR1C酶抑制数据。通过使用Prism 5.02将抑制数据拟合至四参数逻辑S形剂量 - 反应曲线来计算化合物IC 50值。
• 参考文献:

  [1]. Jamieson SM, et al. 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic Acids: highly potent and selective inhibitors of the type 5 17-β-hydroxysteroid dehydrogenase AKR1C3. J Med Chem. 2012 Sep 13;55(17):7746-58.

AKR1C3-IN-1物理化学性质

• 分子式: C₁₆H₁₅NO₄S
• 分子量: 317.36000
• 精确质量: 317.07200
• PSA: 83.06000
• LogP: 3.15050
• InChIKey: ZGVIUMKHTXKKOX-UHFFFAOYSA-N
• SMILES: O=C(O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1
• 储存条件: 2-8℃

AKR1C3-IN-1安全信息

• 海关编码: 2933499090

AKR1C3-IN-1海关

• 海关编码: 2933499090
• 中文概述: 2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
• 申报要素: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
• Summary: 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

AKR1C3-IN-1靶点实验

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AKR1C3-IN-1英文别名

• 3-(2-1,2,3,4-tetrahydroisoquinolylsulfonyl)benzoic acid
• 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid
• 3-(3,4-Dihydro-1H-isoquinoline-2-sulfonyl)-benzoic acid
• AKR1C3-IN-1