(3,4-二氟苯基)甲硫醇 | 666752-97-2

• 物质功能分类: 化学试剂 - 有机试剂 - 硫醇/硫酚
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (3,4-二氟苯基)甲硫醇
• 英文名称: (3,4-Difluorophenyl)methanethiol
• CAS: 666752-97-2
• 化学式: C₇H₆F₂S
• 分子量: 160.19
• InChiKey: PMVFMBMIMRXHDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  硫脲 、 3,4-二氟溴苄 、 盐酸 在 乙醚 、 碳酸氢钠 、 Brine 、 magnesium sulfate 作用下， 以 乙醇 、 sodium hydroxide 为溶剂， 反应 6.0h， 生成 (3,4-二氟苯基)甲硫醇
  参考文献：
  名称：

  Pyrimidine derivatives as modulators of chemokine receptor activity

  摘要：

  公式（1）的化合物、药学上可接受的盐、溶剂合物及其体内可水解的酯具有作为药物的活性，特别是作为趋化因子受体（尤其是CXCR2）活性调节剂，可用于治疗（治疗或预防）由于趋化因子过度或不受调节的产生而恶化或引起的人类和非人类动物的疾病/状况。

  公开号：

  US07482355B2

文献信息

• [EN] PYRAZOLOPYRIMIDINE DERIVATIVES AND USES AS ANTICANCER AGENTS<br/>[FR] DÉRIVÉS DE PYRAZOLOPYRIMIDINE ET LEURS UTILISATIONS COMME AGENTS ANTICANCÉREUX
  申请人：ACEA BIOSCIENCES INC

  公开号：WO2012097196A1

  公开（公告）日：2012-07-19

  Novel compounds having a fused pyrazolopyrimidine derivatives and related fused ring systems are disclosed. The compounds inhibit growth of a variety of types of cancer cells, and are thus useful for treating cancer. Pharmaceutical compositions, and methods of using these compounds and compositions to treat cancer and other diseases related to the dysregulation of kinase (such as Aurora A, Aurora B, Aurora C, cMet, JAK2, ROS1, but not limited to) pathways are disclosed. Efficacy of these compounds is demonstrated with a system for monitoring cell growth/migration, which shows they are potent inhibitors of growth and/or migration of cancer cells. Compositions comprising these compounds, and methods to use these compounds and compositions for treatment of cancers, are disclosed.

  揭示了具有融合吡唑吡嘧啶衍生物和相关融合环系统的新化合物。这些化合物抑制各种类型的癌细胞的生长，因此可用于治疗癌症。还揭示了用于治疗癌症和与激酶（如Aurora A、Aurora B、Aurora C、cMet、JAK2、ROS1等，但不限于）途径失调相关的其他疾病的这些化合物和组合物的药物组合物和使用这些化合物和组合物的方法。这些化合物的疗效通过监测细胞生长/迁移的系统得到证明，显示它们是癌细胞生长和/或迁移的有效抑制剂。揭示了包含这些化合物的组合物和使用这些化合物和组合物治疗癌症的方法。
• [EN] SUBSTITUTED DIHYDROPYRAZINEDIONES AS MODULATORS OF THE NMDA RECEPTOR<br/>[FR] DIHYDROPYRAZINEDIONES SUBSTITUÉES EN TANT QUE MODULATEURS DU RÉCEPTEUR NMDA
  申请人：SCHROEDINGER INC

  公开号：WO2022015624A1

  公开（公告）日：2022-01-20

  This present application relates to compounds of Formula (I), as defined herein, and pharmaceutically acceptable salts thereof. The present application also describes pharmaceutical composition comprising a compound of Formula (I) and pharmaceutically acceptable salts thereof and methods of using the compounds and compositions for treating neurological disorders such as schizophrenia, mild cognitive impairment and chronic neuropathic pain.

  本申请涉及公式（I）的化合物及其药学上可接受的盐。本申请还描述了包括公式（I）化合物及其药学上可接受的盐的制药组合物以及使用该化合物和组合物治疗神经系统疾病，如精神分裂症、轻度认知障碍和慢性神经病痛的方法。
• LOW VISCOSITY, LOW VOLATILITY LUBRICATING OIL BASESTOCKS
  申请人：Patil Abhimanyu O.

  公开号：US20150275117A1

  公开（公告）日：2015-10-01

  A composition containing one or more sulfur-containing compounds represented by the formula (R 1 ) a (X)(R 2 ) b wherein R 1 and R 2 are the same or different and are the residue of an olefin (e.g., aliphatic, aromatic or cycloaliphatic olefin) having from 4 to 40 carbon atoms, X is the residue of a thiol or polythiol, a is a value from 1 to 6, and b is a value from 0 to 6. The composition has a kinematic viscosity at 100° C. (Kv 100 ) from 2 to 300 cst, a kinematic viscosity at 40° C. (Kv 40 ) from 5 to 4000 cst, a viscosity index (VI) from −100 to 300, and a Noack volatility of no greater than 90 percent. A process for producing the composition, a lubricating oil base stock and lubricating oil containing the composition, and a method for improving one or more of solubility and dispersancy of polar additives in a lubricating oil containing the composition.

  该组成物包含一个或多个含硫化合物，其表示为(R1)a(X)(R2)b，其中R1和R2相同或不同，是具有4至40个碳原子的烯烃（例如脂肪族、芳香族或环烷烃）的残基，X是硫醇或多硫醇的残基，a的值为1至6，b的值为0至6。该组成物在100℃下的运动粘度（Kv100）为2至300 cst，在40℃下的运动粘度（Kv40）为5至4000 cst，粘度指数（VI）为-100至300，Noack挥发度不大于90％。一种生产该组成物的方法，一种润滑油基础油和含有该组成物的润滑油，以及一种用于改善润滑油中极性添加剂的溶解性和分散性的方法。
• High stability lubricating oil base stocks and processes for preparing the same
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：US10961480B2

  公开（公告）日：2021-03-30

  Compounds having the formula (F-I) below are provided herein: wherein: R1 is a C1-C5000 alkyl group; R2 is (i) a C4-C30 linear alkyl group or (ii) a C4-C5000 branched alkyl having the formula (F-II) below: wherein R5 and R6 at each occurrence are each independently a hydrogen or a C1-C30 linear alkyl group and n is a positive integer, provided however, among all of R5 and R6, at least one is a C1-C30 linear alkyl group; and R7 is a hydrogen or a C1-C30 linear alkyl group; R3 is hydrogen or a C1-C5000 alkyl group; and R4 is a C1-C50 alkyl group or an aromatic group. Processes for preparing compounds of formula (F-I) as well as base stock and lubricant compositions containing compounds of formula (F-I) are also provided.

  本文提供了具有下式（F-I）的化合物： 其中R1 是 C1-C5000 烷基；R2 是 (i) C4-C30 直链烷基或 (ii) 具有下式 (F-II) 的 C4-C5000 支链烷基： 其中R5和R6在每次出现时各自独立地为氢或C1-C30直链烷基，且n为正整数，但在所有R5和R6中，至少有一个为C1-C30直链烷基；R7为氢或C1-C30直链烷基；R3为氢或C1-C5000烷基；R4为C1-C50烷基或芳香基。还提供了制备式（F-I）化合物以及含有式（F-I）化合物的基础油和润滑剂组合物的工艺。
• Analogs for the treatment of disease
  申请人：Insilico Medicine IP Limited

  公开号：US11530197B2

  公开（公告）日：2022-12-20

  The disclosure provides TNIK and/or MAP4K4 kinases inhibitors for the treatment of disease. In one aspect, disclosed herein are kinase inhibitors having a structure of Formula (A), (A*), (I), (IIA), or (IIB). Further described herein are pharmaceutical composition comprising these compounds and methods of using these compounds. In one aspect, disclosed herein are methods of treating a disease or condition by administering the kinases inhibitors described herein.

  本公开提供了用于治疗疾病的 TNIK 和/或 MAP4K4 激酶抑制剂。在一个方面，本文公开了具有式(A)、(A*)、(I)、(IIA)或(IIB)结构的激酶抑制剂。本文进一步描述了包含这些化合物的药物组合物和使用这些化合物的方法。在一个方面，本文公开了通过施用本文所述激酶抑制剂治疗疾病或病症的方法。