tert-butyl 3,3-dimethylbutyl(methyl)carbamate | 1574118-10-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert-butyl 3,3-dimethylbutyl(methyl)carbamate
• 英文别名: tert-butyl N-(3,3-dimethylbutyl)-N-methylcarbamate
• CAS: 1574118-10-7
• 化学式: C₁₂H₂₅NO₂
• 分子量: 215.336
• InChiKey: VGHXURWZTVJHPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  tert-butyl 3,3-dimethylbutyl(methyl)carbamate 在 盐酸 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 72.0h， 以72%的产率得到N,3,3-trimethylbutan-1-amine hydrochloride
  参考文献：
  名称：

  FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES

  摘要：

  这项发明涉及带有氟甲基基团的吡咯酮羧酰胺作为电压门控钙通道阻滞剂，以及含有这些化合物的药物组合物，还涉及这些化合物用于治疗和/或预防疼痛以及其他疾病和/或紊乱。

  公开号：

  US20140066426A1
• 作为产物：
  描述：

  3,3-二甲基丁胺 、 二碳酸二叔丁酯 在 sodium hydride 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 48.5h， 生成 tert-butyl 3,3-dimethylbutyl(methyl)carbamate
  参考文献：
  名称：

  [EN] FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES
  [FR] PYRROLE CARBOXAMIDES SUBSTITUÉS PAR UN FLUOROMÉTHYLE

  摘要：

  这项发明涉及带有氟甲基基团的吡咯羧酰胺作为电压门控钙通道阻滞剂，以及含有这些化合物的药物组合物，还涉及这些化合物用于治疗和/或预防疼痛以及其他疾病和/或紊乱。

  公开号：

  WO2014032801A1

文献信息

• [EN] FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES<br/>[FR] PYRROLE CARBOXAMIDES SUBSTITUÉS PAR UN FLUOROMÉTHYLE
  申请人：GRUENENTHAL GMBH

  公开号：WO2014032801A1

  公开（公告）日：2014-03-06

  The invention relates to pyrrole carboxamides bearing a fluoromethyl- moiety as voltage gated calcium channel blockers, to pharmaceutical compositions containing these compounds and also to these compounds for use in the treatment and/or prophylaxis of pain and further diseases and/or disorders.

  这项发明涉及带有氟甲基基团的吡咯羧酰胺作为电压门控钙通道阻滞剂，以及含有这些化合物的药物组合物，还涉及这些化合物用于治疗和/或预防疼痛以及其他疾病和/或紊乱。
• Immunomodulating Heterocyclic Compounds
  申请人：Matthews Richard Ian

  公开号：US20080045527A1

  公开（公告）日：2008-02-21

  Compounds of formula (I) are inhibitors of CD80 and useful in immunomodulation therapy: wherein R 1 and R 3 independently represent H; F; Cl; Br; —NO 2 ; —CN; C 1 -C 6 alkyl optionally substituted by F or Cl; or C 1 -C 6 alkoxy optionally substituted by F; R 4 represents a carboxylic acid group (—COOH) or an ester thereof, or —C(═O)NR 6 R 7 , —NR 7 C(═O)R 6 , —NR 7 C(═O)OR 6 , —NHC(═O)NR 7 R 6 or —NHC(═S)NR 7 R 6 wherein R 6 represents H, or a radical of formula -(Alk) m -Q wherein m is 0 or 1, Alk is an optionally substituted divalent straight or branched C 1 -C 12 alkylene, or C 2 -C 12 alkenylene, or C 2 -C 12 alkynylene radical or a divalent C 3 -C 12 carbocyclic radical, any of which radicals may contain one or more —O—, —S— or —N(R 8 )— links wherein R 8 represents H or C 1 -C 4 alkyl, C 3 -C 4 alkenyl, C 3 -C 4 alkynyl, or C 3 -C 6 cycloalkyl, and Q represents H; —NR 9 R 10 wherein R 9 and R 10 independently represents H; C 1 -C 4 alkyl; C 3 -C 4 alkenyl; C 3 -C 4 alkynyl; C 3 -C 6 cycloalkyl; an ester group; an optionally substituted carbocyclic or heterocyclic group; or R 9 and R 10 form a ring when taken together with the nitrogen to which they are attached, which ring is optionally substituted; and R 7 represents H or C 1 -C 6 alkyl; or when taken together with the atom or atoms to which they are attached R 6 and R 7 form an optionally substituted monocyclic heterocyclic ring having 5, 6 or 7 ring atoms; and X represents a bond or a divalent radical of formula -(Z) n -(Alk)- or -(Alk)-(Z) n - wherein Z represents —O—, —S— or —NH—, Alk is as defined in relation to R 6 and n is 0 or 1.

  式（I）的化合物是CD80的抑制剂，可用于免疫调节治疗：其中R1和R3分别表示H; F; Cl; Br; -NO2; -CN; C1-C6烷基，其可选地被F或Cl取代; 或C1-C6烷氧基，其可选地被F取代; R4表示羧酸基（-COOH）或其酯，或-C（=O）NR6R7，-NR7C（=O）R6，-NR7C（=O）OR6，-NHC（=O）NR7R6或-NHC（=S）NR7R6，其中R6表示H，或式-(Alk)m-Q的基团，其中m为0或1，Alk为可选地取代的二价直链或支链C1-C12烷基，或C2-C12烯基，或C2-C12炔基基团或二价C3-C12环烷基基团，其中任何基团都可以包含一个或多个-O-，-S-或-N（R8）-链接，其中R8表示H或C1-C4烷基，C3-C4烯基，C3-C4炔基，或C3-C6环烷基; Q表示H; -NR9R10，其中R9和R10独立地表示H; C1-C4烷基; C3-C4烯基; C3-C4炔基; C3-C6环烷基; 酯基; 可选地取代的碳环或杂环基团; 或者R9和R10与它们所连接的氮一起形成一个环，该环可选地被取代; R7表示H或C1-C6烷基; 或者当它们所连接的原子或原子与R6一起形成一个可选地取代的含5,6或7个环原子的单环杂环时; X表示键或式-(Z)n-(Alk)-或-(Alk)-(Z)n-的二价基团，其中Z表示-O-，-S-或-NH-，Alk如在关于R6的定义中所述，n为0或1。
• Immunomodulating heterocyclic compounds
  申请人：Matthews Richard Ian

  公开号：US20070021428A1

  公开（公告）日：2007-01-25

  Compounds of formula (I) are inhibitors of CD80 and useful in immunomodulation therapy: wherein R 1 and R 3 independently represent H; F; CI; Br; —NO 2 ; —CN; C 1 -C 6 alkyl optionally substituted by F or Cl; or C 1 -C 6 alkoxy optionally substituted by F; R 4 represents a carboxylic acid group (—COOH) or an ester thereof, or —C(═O)NR 6 R 7 , —NR 7 C(═O)R 6 , —NR 7 C(═O)OR 6 , —NHC(═O)NR 7 R 6 or —NHC(═S)NR 7 R 6 wherein R 6 represents H, or a radical of formula -(Alk) m -Q wherein m is 0 or 1, Alk is an optionally substituted divalent straight or branched C 1 -C 12 alkylene, or C 2 -C 12 alkenylene, or C 2 -C 12 alkynylene radical or a divalent C 3 -C 12 carbocyclic radical, any of which radicals may contain one or more —O—, —S— or —N(R 8 )— links wherein R 8 , represents H or C 1 -C 4 alkyl, C 3 -C 4 alkenyl, C 3 -C 4 alkynyl, or C 3 -C 6 cycloalkyl, and Q represents H; —NR 9 R 10 wherein R 9 and R 10 independently represents H; C 1 -C 4 alkyl; C 3 -C 4 alkenyl; C 3 -C 4 alkynyl; C 3 -C 6 cycloalkyl; an ester group; an optionally substituted carbocyclic or heterocyclic group; or R 9 and R 10 form a ring when taken together with the nitrogen to which they are attached, which ring is optionally substituted; and R 7 represents H or C 1 -C 6 alkyl; or when taken together with the atom or atoms to which they are attached R 6 and R 7 form an optionally substituted monocyclic heterocyclic ring having 5, 6 or 7 ring atoms; and X represents a bond or a divalent radical of formula —(Z) n -(Alk)- or -(Alk)-(Z) n — wherein Z represents —O—, —S— or —NH—, Alk is as defined in relation to R 6 , and n is 0 or 1.

  式(I)的化合物是CD80的抑制剂，并且在免疫调节治疗中有用：其中R1和R3分别表示H; F; CI; Br; -NO2; -CN; C1-C6烷基，可选地被F或Cl取代; 或C1-C6烷氧基，可选地被F取代; R4表示羧酸基（-COOH）或其酯，或-C（=O）NR6R7，-NR7C（=O）R6，-NR7C（=O）OR6，-NHC（=O）NR7R6或-NHC（=S）NR7R6，其中R6表示H，或式-(Alk)m-Q的基团，其中m为0或1，Alk为可选取代的二价直链或支链C1-C12烷基，或C2-C12烯基，或C2-C12炔基基团或二价C3-C12环烷基基团，其中任何基团均可能含有一个或多个-O-，-S-或-N（R8）-链接，其中R8表示H或C1-C4烷基，C3-C4烯基，C3-C4炔基或C3-C6环烷基，Q表示H; -NR9R10，其中R9和R10独立地表示H; C1-C4烷基; C3-C4烯基; C3-C4炔基; C3-C6环烷基; 酯基; 可选取代的环烷基或杂环基; 或者当R9和R10与它们所连接的氮一起形成一个环时，该环是可选取代的; R7表示H或C1-C6烷基; 或者当它们所连接的原子或原子与R6和R7一起形成一个可选取代的有5、6或7个环原子的单环杂环时; X表示键或式-(Z)n-(Alk)-或-(Alk)-(Z)n-的二价基团，其中Z表示-O-，-S-或-NH-，Alk如在R6中所定义，n为0或1。
• Fluoromethyl-substituted pyrrole carboxamides
  申请人：GRÜNENTHAL GMBH

  公开号：US09302988B2

  公开（公告）日：2016-04-05

  The invention relates to pyrrole carboxamides bearing a fluoromethyl-moiety as voltage gated calcium channel blockers, to pharmaceutical compositions containing these compounds and also to these compounds for use in the treatment and/or prophylaxis of pain and further diseases and/or disorders.

  本发明涉及带有氟甲基基团的吡咯羧酰胺作为电压门控钙离子通道阻滞剂，包含这些化合物的药物组合物以及这些化合物用于治疗和/或预防疼痛和其他疾病和/或疾病的用途。
• INHIBITING FATTY ACID SYNTHASE (FASN)
  申请人：FORMA Therapeutics, Inc.

  公开号：US20210024508A1

  公开（公告）日：2021-01-28

  The present disclosure is directed to inhibitors of FASN. The compounds can be useful in the treatment of disease or disorders associated with the inhibition of FASN. For instance, the disclosure is concerned with compounds and compositions for inhibition of FASN, methods of treating, preventing, or ameliorating diseases or disorders associated with the inhibition of FASN, and methods of synthesis of these compounds.