thiocarbonic acid S-sec-butyl ester O-chloromethyl ester | 935680-45-8

• 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: thiocarbonic acid S-sec-butyl ester O-chloromethyl ester
• 英文别名: Chloromethyl butan-2-ylsulfanylformate
• CAS: 935680-45-8
• 化学式: C₆H₁₁ClO₂S
• 分子量: 182.671
• InChiKey: LSEWJOIZXWIRMK-UHFFFAOYSA-N

物化性质

• 沸点：
  218.5±42.0 °C(Predicted)
• 密度：
  1.165±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  thiocarbonic acid S-sec-butyl ester O-chloromethyl ester 在 碳酸氢钠 、 sodium iodide 作用下， 以 丙酮 为溶剂， 反应 4.0h， 生成 thiocarbonic acid S-sec-butyl ester O-iodomethyl ester
  参考文献：
  名称：

  Prodrugs of compounds that inhibit TRPV1 receptor

  摘要：

  式（I）的化合物 其中A，R1，R2和R3在规范中定义，并且这些化合物可用作治疗化合物，特别用于治疗与炎症、疼痛、膀胱过度活动、尿失禁以及由TRPV1引起或加重的其他疾病或症状相关的紊乱。

  公开号：

  US20070099954A1
• 作为产物：
  描述：

  2-丁硫醇 、 氯甲酸氯甲酯 在 sodium methylate 作用下， 以 甲醇 、 乙醚 为溶剂， 反应 20.0h， 生成 thiocarbonic acid S-sec-butyl ester O-chloromethyl ester
  参考文献：
  名称：

  Prodrugs of compounds that inhibit TRPV1 receptor

  摘要：

  式（I）的化合物 其中A，R1，R2和R3在规范中定义，并且这些化合物可用作治疗化合物，特别用于治疗与炎症、疼痛、膀胱过度活动、尿失禁以及由TRPV1引起或加重的其他疾病或症状相关的紊乱。

  公开号：

  US20070099954A1

文献信息

• COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF INFLAMMATION-RELATED DISORDERS, PAIN AND FEVER, SKIN DISORDERS, CANCER AND PRECANCEROUS CONDITIONS THEREOF
  申请人：Medicon Pharmaceuticals, Inc.

  公开号：US20140315834A1

  公开（公告）日：2014-10-23

  The present invention provides novel compounds and pharmaceutical compositions for the prevention and/or treatment of cancer and precancerous conditions thereof, for the treatment of pain and fever, for the treatment of skin disorders, and for treating and/or preventing inflammation-related diseases and/or cardiovascular diseases. The compounds of the invention also have analgesic properties and anti-platelet properties. The compounds of the invention may be provided to animals, including mammals and humans, by administering a suitable pharmaceutical dose in a suitable pharmaceutical dosage form. The compounds of the invention have improved efficacy and safety, including higher potency and/or fewer or less severe side effects, than conventional therapies. The compounds of the invention comprise a biologically active moiety or portion (A) that has, or is modified to have at least one carboxyl group. The moiety A is preferably an aliphatic, aromatic or alkylaryl group, preferably derived from a non-steroidal anti-inflammatory drug or NSAID (A). The moiety A is bound to a linker moiety (B) via the carboxyl of group A and a linking atom that is selected from oxygen, nitrogen, and sulphur, to form a carboxylic ester, and amide, or a thioester, bond (X 1 ) between groups A and B. Moiety B is a single bond, an aliphatic group, a substituted benzene, or an alkylene substituted hydrocarbon chain, which in turn is bound to functional moiety Z, which facilitates access of the compound into cells. The moiety Z can comprise, for example, a phosphorous-containing group, a nitrogen-containing group, or a folic acid residue.
• [EN] BENZIMIDAZOLE CARBOXYLIC ACID DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS<br/>[FR] DÉRIVÉS D'ACIDE BENZIMIDAZOLE-CARBOXYLIQUE, COMPOSITIONS ET PROCÉDÉS D'UTILISATION EN TANT QU'INHIBITEURS DE KINASE AURORA
  申请人：TRANSTECH PHARMA LLC

  公开号：WO2014193696A2

  公开（公告）日：2014-12-04

  The invention provides benzimidazole carboxylic acid derivatives that inhibit Aurora kinase, pharmaceutical compositions comprising compounds that inhibit Aurora kinase, and methods of treatment using the compounds of the present invention or pharmaceutical compositions comprising compounds of the present invention.
• [EN] PHOSPHATE PRODRUGS OF CANNABINOIDS<br/>[FR] PROMÉDICAMENTS CANNABINOÏDES À BASE DE PHOSPHATE
  申请人：[en]EMORY UNIVERSITY

  公开号：WO2023009817A2

  公开（公告）日：2023-02-02

  Phosphate prodrugs of cannabinoids are disclosed herein as are pharmaceutical compositions comprising one or more of the same. Such compounds and compositions are useful for the treatment of diseases, disorders, and/or conditions, including neurological disorders and neuropathic pain.