4-methyl-octan-3-ol | 66793-80-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 4-methyl-octan-3-ol
• 英文别名: 4-Methylheptanol-(3)；4-Methyl-3-octanol；4-methyloctan-3-ol
• CAS: 66793-80-4
• 化学式: C₉H₂₀O
• 分子量: 144.257
• InChiKey: XPWBBDBJJRZCPW-UHFFFAOYSA-N

物化性质

• 熔点：
  6.15°C (estimate)
• 沸点：
  192.9°C (estimate)
• 密度：
  0.8440

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-methyl-octan-3-ol 在 sodium dichromate 、 硫酸 作用下， 生成 4-methyl-3-octanone
  参考文献：
  名称：

  Mazet,M. et al., Bulletin de la Societe Chimique de France, 1969, p. 4309 - 4321

  摘要：

  DOI：
• 作为产物：
  描述：

  丙醛 、 alkaline earth salt of/the/ methylsulfuric acid 在 乙醚 作用下， 生成 4-methyl-octan-3-ol
  参考文献：
  名称：

  The Preparation of Methylethylamylcarbinol, Methylethylamyl Iodide, 4-Methyloctanol-3 and 3-Bromo-4-methyloctane

  摘要：

  DOI：

  10.1021/ja01320a052

文献信息

• New CRTh2 antagonists
  申请人：Almirall, S.A.

  公开号：EP2548876A1

  公开（公告）日：2013-01-23

  The present invention relates to compounds of formula (I), to the process for preparing such compounds and to their use in the treatment of a pathological condition or disease susceptible to amelioration by CRTh2 antagonist activity.

  本发明涉及式(I)的化合物，制备这种化合物的方法以及它们在治疗病理状况或疾病中的应用，该病理状况或疾病容易通过CRTh2拮抗活性得到改善。
• Selective inhibition of aggrecanase in osteoarthritis treatment
  申请人：Noe C. Mark

  公开号：US20050227997A1

  公开（公告）日：2005-10-13

  This invention relates to a method of treatment for osteoarthritis involving inhibitors of aggrecanase that demonstrate IC 50 s of less than 20 nM and demonstrate differential potency against matrix metalloproteinases (MMPs) and a disintegrin and metalloproteinases (ADAMs or reprolysins). This invention also relates to compounds, methods of treatment and composition of Formula I: or a therapeutically acceptable salt thereof, wherein X is carbon or nitrogen; R 1 and R 2 are independently selected from the group consisting of hydrogen, hydroxy, and methyl, wherein at least one of R 1 and R 2 is methyl; R 3 and R 4 are independently selected from the group consisting of hydrogen, hydroxy, and methyl, or R 3 and R 4 may be taken together to form a carbonyl group; and R 5 and R 6 are independent substituents in the ortho, meta, or para positions and are independently selected from the group consisting of hydrogen, halogen, cyano, methyl, and ethyl; with the provisos: when X is carbon, then R 7 and R 8 are both hydrogen and at least one of R 1 , R 2 , R 3 , and R 4 is hydroxy; when X is carbon and R 5 is para-halo, then at least one of R 6 , R 3 , and R 4 is not hydrogen; when X is nitrogen, then R 8 is not present and R 7 is hydrogen or a group of the formula: wherein, Y is —CH 2 —NH 2 or —NH—CH 3 ; and when X is nitrogen and R 7 is H, then R 3 and R 4 are taken together to form a carbonyl group.

  这项发明涉及一种治疗骨关节炎的方法，涉及抑制aggrecanase的抑制剂，其IC50小于20 nM，并且对基质金属蛋白酶（MMPs）和脱粒蛋白酶（ADAMs或reprolysins）表现出差异的效力。这项发明还涉及化合物、治疗方法和Formula I的组成： 或其治疗上可接受的盐，其中X为碳或氮； R1和R2分别选自氢、羟基和甲基组成的群，其中至少一个为甲基； R3和R4分别选自氢、羟基和甲基组成的群，或R3和R4可一起形成一个羰基；以及 R5和R6是正交位、间位或对位的独立取代基，分别选自氢、卤素、氰基、甲基和乙基；附加条件： 当X为碳时，R7和R8都是氢，且至少一个R1、R2、R3和R4为羟基； 当X为碳且R5为对位卤素时，至少一个R6、R3和R4不是氢； 当X为氮时，R8不存在且R7为氢或一个公式的基团： 其中，Y为—CH2—NH2或—NH—CH3；以及 当X为氮且R7为H时，R3和R4一起形成一个羰基。
• BENZOTHIOPHENE DERIVATIVE
  申请人：DAIICHI SANKYO COMPANY, LIMITED

  公开号：US20160024060A1

  公开（公告）日：2016-01-28

  [Problem to be Solved] It is intended to provide a compound having PDE10A inhibitory activity and having a novel structure, or an isotope thereof or a pharmaceutically acceptable salt thereof, and a pharmaceutical composition comprising the same as an active ingredient. [Solution] The present invention provides a compound represented by the general formula (I) or a pharmaceutically acceptable salt thereof.

  [待解决问题] 旨在提供一种具有PDE10A抑制活性的化合物，并具有新颖结构，或其同位素或药用可接受盐，以及一种以该化合物作为活性成分的药物组合物。 [解决方案] 本发明提供了一种由通用公式（I）表示的化合物或其药用可接受盐。
• [EN] PYRIDAZINONE DERIVATIVES AND USE THEREOF AS P2X7 RECEPTOR INHIBITORS<br/>[FR] DÉRIVÉS DE PYRIDAZINONE ET LEUR UTILISATION COMME INHIBITEURS DU RÉCEPTEUR P2X7
  申请人：NISSAN CHEMICAL IND LTD

  公开号：WO2009057827A1

  公开（公告）日：2009-05-07

  Novel pyridazinone compounds of formula (I), which inhibit the purinergic P2X7 receptor and are useful for prevention, therapy and improvement of inflammatory and immunological diseases.

  翻译结果为：新型的哒嗪酮化合物，其化学公式为(I)，能够抑制嘌呤能P2X7受体，并对预防、治疗和改善炎症性和免疫性疾病有益。
• [EN] NEW CRTH2 ANTAGONISTS<br/>[FR] NOUVEAUX ANTAGONISTES DE CRTH2
  申请人：ALMIRALL SA

  公开号：WO2013010880A1

  公开（公告）日：2013-01-24

  The present invention relates to compounds of formula (I), to the process for preparing such compounds and to their use in the treatment of a pathological condition or disease susceptible to amelioration by CRTh2 antagonist activity.

  本发明涉及式(I)的化合物，以及制备这种化合物的方法，以及它们在治疗病理状况或疾病中的应用，这些病理状况或疾病容易通过CRTh2拮抗活性得到改善。