4-methanesulfonyl-2-methyl-phenol | 20945-71-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-methanesulfonyl-2-methyl-phenol
• 英文别名: 4-Methansulfonyl-2-methyl-phenol；4-Methylsulfon-2-methyl-phenol；2-methyl-4-methylsulfonylphenol
• CAS: 20945-71-5
• 化学式: C₈H₁₀O₃S
• 分子量: 186.232
• InChiKey: JVHYYNCSPAFJMI-UHFFFAOYSA-N

物化性质

• 熔点：
  126-127 °C(Solv: acetic acid (64-19-7))
• 沸点：
  388.3±42.0 °C(Predicted)
• 密度：
  1.276±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  62.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-methanesulfonyl-2-methyl-phenol 在 哌啶 、 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 0.67h， 生成 2-(4-Methanesulfonyl-2-methyl-phenoxymethyl)-oxirane
  参考文献：
  名称：

  Antihypertensive indole derivatives of phenoxypropanolamines with .beta.-adrenergic receptor antagonist and vasodilating activity

  摘要：

  A series of 25 aryloxypropanolamines containing the 3-indolyl-tert-butyl [i.e., 1,1-dimethyl-2-(1H-indol-3-yl)ethyl] or substituted 3-indolyl-tert-butyl moiety as the N substituent is reported. These compounds have been tested for antihypertensive activity in spontaneously hypertensive rats (SHR), beta-adrenergic receptor antagonist action in conscious normotensive rats, vasodilating activity in ganglion-blocked rats with blood pressure maintained by angiotensin II infusion, and for intrinsic sympathomimetic action (ISA) in reserpinized rats. Some of the compounds exhibit antihypertensive activity in combination with beta adrenergic receptor antagonist and vasodilating action. The structure--activity relationships in these tests are discussed.

  DOI：

  10.1021/jm00177a015
• 作为产物：
  描述：

  4-methoxy-3-methylphenyl methyl sulfone 在 氢溴酸 作用下， 生成 4-methanesulfonyl-2-methyl-phenol
  参考文献：
  名称：

  Phosphorus derivatives, process for their preparation and compositions containing same

  摘要：

  公开号：

  US02803580A1

文献信息

• COVALENT INHIBITORS OF KRAS G12C
  申请人：Araxes Pharma LLC

  公开号：US20140288045A1

  公开（公告）日：2014-09-25

  Irreversible inhibitors of G12C mutant K-Ras protein are provided. Also disclosed are methods to modulate the activity of G12C mutant K-Ras protein and methods of treatment of disorders mediated by G12C mutant K-Ras protein.

  G12C突变K-Ras蛋白的不可逆抑制剂已提供。还公开了调节G12C突变K-Ras蛋白活性的方法以及通过G12C突变K-Ras蛋白介导的疾病治疗方法。
• GPR119 AGONIST
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：EP2311822A1

  公开（公告）日：2011-04-20

  A cyclic amine derivative represented by the formula (II) is a GPR119 agonist, and is used as an agent for treating diabetes. wherein Ar0 is phenyl or phenyl having a substituent such as C1-8 alkylsulfonyl or the like, pyridyl, or pyridyl having a substituent such as C1-8 alkylsulfonyl; A0 is (CH2)p, O, or the like; B0 is (CH2)q, or the like, provided that B0 is neither O nor NR25 when A0 is O or NR24; one of U0 and V0 is N, and the other is N or CR26; each of X0\ and Y0 is C1-3 alkylene or C1-3 alkylene having a substituent; R23 is a C1-8 alkyl group or the like; each of R21 and R22 is hydrogen, a halogen atom, or the like.

  公式（II）表示的环胺衍生物是GPR119激动剂，用作治疗糖尿病。其中Ar0是苯或带有取代基如C1-8烷基磺酰基等的苯基，吡啶基，或带有取代基如C1-8烷基磺酰基的吡啶基；A0是（CH2）p，O，或类似物；B0是（CH2）q，或类似物，前提是当A0为O或NR24时，B0既不是O也不是NR25；U0和V0中的一个是N，另一个是N或CR26；X0和Y0中的每一个是C1-3烷基或带有取代基的C1-3烷基；R23是C1-8烷基或类似物；R21和R22中的每一个是氢，卤素原子，或类似物。
• INHIBITORS OF ASPARTYL PROTEASE
  申请人：Hale Michael R.

  公开号：US20090274650A1

  公开（公告）日：2009-11-05

  The present invention relates to a novel class of sulfonamides which are aspartyl protease inhibitors. In one embodiment, this invention relates to a novel class of HIV aspartyl protease inhibitors characterized by specific structural and physicochemical features. This invention also relates to pharmaceutical compositions comprising these compounds. The compounds and pharmaceutical compositions of this invention are particularly well suited for inhibiting HIV-1 and HIV-2 protease activity and consequently, may be advantageously used as anti-viral agents against the HIV-1 and HIV-2 viruses. This invention also relates to methods for inhibiting the activity of HIV aspartyl protease using the compounds of this invention and methods for screening compounds for anti-HIV activity.

  本发明涉及一种新的磺胺类化合物，它们是天冬氨酸蛋白酶抑制剂。在一种实施例中，本发明涉及一种新的HIV天冬氨酸蛋白酶抑制剂，其具有特定的结构和物理化学特征。本发明还涉及包含这些化合物的制药组合物。本发明的化合物和制药组合物特别适用于抑制HIV-1和HIV-2蛋白酶活性，因此，可以优势地用作抗HIV-1和HIV-2病毒的抗病毒剂。本发明还涉及使用本发明的化合物抑制HIV天冬氨酸蛋白酶活性的方法以及筛选具有抗HIV活性的化合物的方法。
• GPR119 agonist
  申请人：Endo Tsuyoshi

  公开号：US08536176B2

  公开（公告）日：2013-09-17

  A cyclic amine derivative represented by the formula (II) is a GPR119 agonist, and is used as an agent for treating diabetes. wherein Ar0 is phenyl or phenyl having a substituent such as C1-8 alkylsulfonyl or the like, pyridyl, or pyridyl having a substituent such as C1-8 alkylsulfonyl; A0 is (CH2)p, O, or the like; B0 is (CH2)q, or the like, provided that B0 is neither O nor NR25 when A0 is O or NR24; one of U0 and V0 is N, and the other is N or CR26; each of X0 and Y0 is C1-3 alkylene or C1-3 alkylene having a substituent; R23 is a C1-8 alkyl group or the like; each of R21 and R22 is hydrogen, a halogen atom, or the like.

  公式（II）所表示的环状胺衍生物是GPR119激动剂，可用作治疗糖尿病的药物。其中，Ar0为苯基或带有C1-8烷基磺酰或类似基团的苯基，吡啶基或带有C1-8烷基磺酰或类似基团的吡啶基；A0为（CH2）p，O或类似物；B0为（CH2）q或类似物，但当A0为O或NR24时，B0不能为O或NR25；U0和V0中的一个为N，另一个为N或CR26；X0和Y0中的每一个都是C1-3烷基或带有取代基的C1-3烷基；R23为C1-8烷基或类似物；R21和R22中的每一个都是氢，卤素原子或类似物。
• COMBINATION THERAPIES FOR TREATMENT OF CANCER
  申请人：Araxes Pharma LLC

  公开号：US20160166571A1

  公开（公告）日：2016-06-16

  Combination therapies for treatment of cancers associated with mutations in the KRAS gene are provided. Compositions comprising therapeutic agents for treatment of cancers associated with mutations in the KRAS gene are also provided.

  提供了用于治疗与KRAS基因突变相关的癌症的联合治疗方案。还提供了包含治疗剂的组合物，用于治疗与KRAS基因突变相关的癌症。