1-[12-(1-Methanesulfonylaminocarbonyl-cyclopropyl)-dodecyl]-cyclopropanecarboxylic acid | 1365572-08-2

• 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: 1-[12-(1-Methanesulfonylaminocarbonyl-cyclopropyl)-dodecyl]-cyclopropanecarboxylic acid
• 英文别名: 1-[12-[1-(methylsulfonylcarbamoyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid
• CAS: 1365572-08-2
• 化学式: C₂₁H₃₇NO₅S
• 分子量: 415.594
• InChiKey: DDOOBSUNQVQLLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  28
• 可旋转键数：
  16
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-[12-(1-Methanesulfonylaminocarbonyl-cyclopropyl)-dodecyl]-cyclopropanecarboxylic acid 、 1,2-二氯乙烷 、 C.I.酸性橙108 在 4-二甲氨基吡啶 ice 、 水 、 Sodium sulfate-III 、 crude product 、 甲醇 、 氯仿 作用下， 以 N,N-二甲基甲酰胺 、 氯仿 为溶剂， 反应 0.58h， 以to obtain product as off-white solid (220 mg, 25%)的产率得到1-[12-(1-Methanesulfonylaminocarbonyl-cyclopropyl)-dodecyl]-cyclopropanecarboxylic acid (2-hydroxy-ethyl)-amide
  参考文献：
  名称：

  METHODS AND COMPOSITIONS FOR TREATMENT OF DIABETES AND DYSLIPIDEMIA

  摘要：

  提供了化合物A1的新型化合物：其立体异构体和/或药学上可接受的盐，用于治疗糖尿病和糖尿病相关的血脂异常，其中R7独立地选择自羟基，烷氧基，烷基，胺基，NHR′，其中R′是烷基或环烷基，可以选择性地被羟基或烷氧基取代，NHSO2R或NHCOR，其中R选择自烷基或环烷基。 R3和R4和/或R5和R6中至少有一个形成一个由3-8个碳原子组成的环状环，可以选择性地含有烷基，杂原子或功能基团，例如O，N，SO2。此外，当它们不形成环状环时，R3和R4或R5和R6独立地选择自氢，烷基，支链烷基和环烷基。 L1是独立的线性脂肪链，可以选择性地含有6到16个碳原子，L1可以选择性地被烷基，支链烷基，环烷基或芳基取代一次或多次。

  公开号：

  US20140121267A1
• 作为产物：
  描述：

  2,15-dicyclopropyl-hexadecanedioic acid 在 4-二甲氨基吡啶 、 氯化亚砜 、 水 、 N,N'-羰基二咪唑 、 potassium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 85.0h， 生成 1-[12-(1-Methanesulfonylaminocarbonyl-cyclopropyl)-dodecyl]-cyclopropanecarboxylic acid
  参考文献：
  名称：

  METHODS AND COMPOSITIONS FOR TREATMENT OF DIABETES AND DYSLIPIDEMIA

  摘要：

  该发明涉及一种新型化合物的公式I：以及其立体异构体和/或药用盐，用于治疗糖尿病和与糖尿病相关的血脂异常。

  公开号：

  US20120071528A1

文献信息

• Methods and compositions for treatment of diabetes and dyslipidemia
  申请人：Khanna Ish

  公开号：US08623897B2

  公开（公告）日：2014-01-07

  The invention is directed to novel compounds of Formula I: as well as its stereoisomers and/or pharmaceutically acceptable salts, for the treatment of diabetes and diabetes associated dyslipidemia.

  本发明涉及一种新的化合物I，以及它的立体异构体和/或药学上可接受的盐，用于治疗糖尿病和与糖尿病相关的血脂异常。
• Managing Nephrogenic Diabetes Insipidus
  申请人：Emory University

  公开号：US20200383940A1

  公开（公告）日：2020-12-10

  In certain embodiments, this disclosure relates to methods of treating or preventing nephrogenic diabetes insipidus comprising administering an effective amount of a compound of Formula (I) or derivatives thereof, as described herein, to a subject in need thereof. In certain embodiments, the subject has been diagnosed with nephrogenic diabetes insipidus.
• SUBSTITUTED CYCLOALKANES FOR MANAGING NEPHROGENIC DIABETES INSIPIDUS
  申请人：NephroDI Therapeutics, Inc.

  公开号：US20220031639A1

  公开（公告）日：2022-02-03

  In certain embodiments, this disclosure relates to methods of treating or preventing nephrogenic diabetes insipidus comprising administering an effective amount of a compound of Formula I or derivatives thereof, as described herein, to a subject in need thereof. In certain embodiments, the subject has been diagnosed with nephrogenic diabetes insipidus.
• US8623897B2
  申请人：——

  公开号：US8623897B2

  公开（公告）日：2014-01-07
• [EN] METHODS AND COMPOSITIONS FOR TREATMENT OF DIABETES AND DYSLIPIDEMIA<br/>[FR] PROCÉDÉS ET COMPOSITIONS POUR LE TRAITEMENT DU DIABÈTE ET DE LA DYSLIPIDÉMIE
  申请人：KAREUS THERAPEUTICS SA

  公开号：WO2012040177A1

  公开（公告）日：2012-03-29

  Novel compounds of Formula I are provided: its stereoisomers and/or pharmaceutically acceptable salts for the treatment of diabetes and diabetes-associated dyslipidemia, wherein R1 is selected from a group consisting of hydroxy, alkoxy, amine, alkyl, haloalkyl, NHSO2R, or NHCOR wherein R is selected from alkyl or cycloalkyl, NHR' wherein R' is alkyl or cycloalkyl optionally substituted by hydroxy or alkoxy; and n1 and n2 are independently selected from 0, 1, and 2. At least one of R3 and R4 and/or R5 and R6 form a cyclic ring of 3-8 carbon atoms optionally containing alkyl groups, hetero atoms, or functional groups such as O, N, SO2. Additionally, when R3 and R4 or R5 and R6 do not form a cyclic ring, then they may be independently selected from hydrogen, alkyl, branched alkyl, and cycloalkyl. L1 is a linear aliphatic chain optionally containing from 4 to 16 carbon atoms. The chain may optionally be substituted one or more times by alkyl, branched alkyl, cycloalkyl, or aryl. R2 is independently selected from hydrogen, alkoxy, hydroxy, alkyl, haloalkyl, cycloalkyl, heterocycloalkyl, heteroaryl, cyano, or COR7, wherein R7 is selected from hydroxy, alkyl, alkoxy, or amine, NHR', NHSO2R, or NHCOR. Y1 is oxygen or hydrogen. Y2 is optional, wherein when Y2 is present, Y1 and Y2 are hydrogen. When Y2 is not present, Y1 is a carbonyl group.