T16Ainh-A01 | 552309-42-9

• 物质功能分类: 生物化工 - 生化试剂 - 激动剂抑制剂
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: T16Ainh-A01
• 英文别名: 2-[(5-ethyl-1,6-dihydro-4-methyl-6-oxo-2-pyrimidinyl)thio]-N-[4-(4-methoxyphenyl )-2 thiazolyl]acetamide；T16AInh-A01；2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
• CAS: 552309-42-9
• 化学式: C₁₉H₂₀N₄O₃S₂
• 分子量: 416.525
• InChiKey: QSIYTNYMBWYHAA-UHFFFAOYSA-N

物化性质

• 熔点：
  211-212°C (dec.)
• 密度：
  1.39±0.1 g/cm3(Predicted)
• 溶解度：
  DMSO：可溶5mg/mL，澄清（加热）

计算性质

• 辛醇/水分配系数(LogP)：
  3.92
• 重原子数：
  28.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  97.23
• 氢给体数：
  2.0
• 氢受体数：
  8.0

安全信息

• 危险性防范说明：
  P264,P280,P302+P352,P305+P351+P338,P332+P313,P337+P313,P362
• 危险性描述：
  H315,H319
• 储存条件：
  2-8℃，保持干燥环境。

制备方法与用途

生物活性

T16Ainh-A01 是一种有效的、选择性的钙激活氯通道 (CaCC)/ 跨膜蛋白 16A (TMEM16A, ANO1) 抑制剂，IC50值为 1.8 μM。

靶点

Target	Value
TMEM16A	1.8 μM

体外研究

T16Ainh-A01（浓度范围：0.3-30 μM）显著减少了 I_ClCa 的内向和外向成分，并在 RUICC 中抑制了 I_ClCa，而对 L 型 Ca²⁺ 电流影响不大。当使用 T16Ainh-A01（10 μM）时，在自由钙浓度为 275 nM 的微管中诱导的 TMEM16A 氯通道电流几乎完全被抑制，表明其阻断机制与电压无关。

反应信息

• 作为反应物：
  描述：

  T16Ainh-A01 在 recombinant micromonospora rhodorangea flavin-dependent halogenase 、 腺嘌呤黄素 、 sodium chloride 作用下， 以 aq. phosphate buffer 为溶剂， 反应 10.0h， 以12.6 mg的产率得到3-chloro-T16Ainh-A01
  参考文献：
  名称：

  클로라이드 채널 차단제를 유효성분으로 함유하는 뇌종양 예방 또는 치료용 약학적 조성물

  摘要：

  本发明涉及包含氯化物通道阻滞剂作为有效成分的用于预防或治疗脑肿瘤的药学组合物，更具体地说，涉及制备CaCC选择性合成阻滞剂T16Ainh-A01的衍生物，并且涉及该衍生物在治疗胶质瘤方面的用途。根据本发明，基于钙依赖性氯化物通道阻滞剂T16Ainh-A01的结构变形氨基苯硫唑衍生物比变形前的T16Ainh-A01对胶质瘤的抗癌活性和血脑屏障透过率得到改善，表现出卓越的效果；即使在对传统治疗方法表现出耐药性的癌症中，其抗癌活性也表现出色，因此可以作为改进的脑肿瘤预防或治疗药物。

  公开号：

  KR20190044835A

文献信息

• COMPOSITIONS AND METHODS FOR PRESERVING PLATELET FUNCTION
  申请人：BIOVEC TRANSFUSION, LLC

  公开号：US20150056604A1

  公开（公告）日：2015-02-26

  Compositions and methods for maintaining platelet functionality and extending the shelf-life of platelets are described. Platelet preservation compositions include a photosensitizer and a plurality of platelet preservation agents. A method for preserving platelets and extending their shelf-life includes irradiating a platelet mixture containing a photosensitizer under conditions sufficient to activate the photosensitizer and inactivate microbes in the platelet mixture to form a microbe-depleted platelet preparation. A plurality of platelet preservation agents are added to the microbe-depleted platelet preparation for extending the platelet shelf-life. Prior to transfusion, the photosensitizer and platelet preservation agents can be removed by diafiltration and/or the use of compound adsorption devices.

  本文描述了维持血小板功能和延长血小板货架寿命的组合物和方法。血小板保存组合物包括光敏剂和多种血小板保存剂。一种保存血小板并延长其货架寿命的方法包括在足以激活光敏剂并灭活血小板混合物中的微生物的条件下，照射含有光敏剂的血小板混合物，以形成去除微生物的血小板制备物。在延长血小板货架寿命之前，向去除微生物的血小板制备物中添加多种血小板保存剂。在输血之前，可以通过透析和/或使用化合物吸附装置去除光敏剂和血小板保存剂。
• TMEM16A MODULATION FOR DIAGNOSTIC OR THERAPEUTIC USE IN PULMONARY HYPERTENSION (PH)
  申请人：Bayer Aktiengesellschaft

  公开号：EP3618861A1

  公开（公告）日：2020-03-11
• TMEM16A Modulation for Diagnostic or Therapeutic Use in Pulmonary Hypertension (PH)
  申请人：Bayer Aktiengesellschaft

  公开号：US20210156844A1

  公开（公告）日：2021-05-27

  Provided is a method of assessing the occurrence or the risk of occurrence of pulmonary hypertension (PH), in which an increased level of expression of the channel TMEM16A indicates a risk of occurrence of PH. Provided is also a method of treating PH, in which a compound effective in reducing activity of TMEM16A is being administered. Provided are also screening methods for a compound suitable for modulating activity ex vivo and in vitro and for PH treatment in vivo.
• [EN] TMEM16A MODULATION FOR DIAGNOSTIC OR THERAPEUTIC USE IN PULMONARY HYPERTENSION (PH)<br/>[FR] MODULATION DU TMEM16A POUR UNE UTILISATION DIAGNOSTIQUE OU THÉRAPEUTIQUE DANS L'HYPERTENSION PULMONAIRE (PH)
  申请人：BAYER AG

  公开号：WO2018202471A1

  公开（公告）日：2018-11-08

  Provided is a method of assessing the occurrence or the risk of occurrence of pulmonary hypertension (PH), in which an increased level of expression of the channel TMEM16A indicates a risk of occurrence of PH. Provided is also a method of treating PH, in which a compound effective in reducing activity of TMEM16A is being administered. Provided are also screening methods for a compound suitable for modulating activity ex vivo and in vitro and for PH treatment in vivo.
• [EN] ASSAY<br/>[FR] DOSAGE
  申请人：KING S COLLEGE LONDON

  公开号：WO2022023380A2

  公开（公告）日：2022-02-03

  The present disclosure relates in one aspect to a methods for detecting an agent that modulates coronavirus-mediated cell fusion or syncytia formation, or for detecting an immune response against a coronavirus in a subject, comprising contacting cultured cells expressing a coronavirus Spike protein with the agent a sample from the subject; and detecting cell fusion or syncytia formation by automated microscopy. In further aspects, the disclosure relates to methods and pharmaceutical compositions for use in preventing or treating a coronavirus infection or coronavirus-associated disease, comprising an anoctamin (ANO)/transmembrane protein 16 (TMEM16) family member inhibitor; a cardiac glycoside; or an agent identified by the methods described above, preferably clofazimine or salinomycin.