2-Benzyloxycarbonylamino-4-hydroxybutyric acid tert-butyl ester | 149967-08-8

• 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: 2-Benzyloxycarbonylamino-4-hydroxybutyric acid tert-butyl ester
• 英文别名: Tert-butyl 4-oxidanyl-2-(phenylmethoxycarbonylamino)butanoate；tert-butyl 4-hydroxy-2-(phenylmethoxycarbonylamino)butanoate
• CAS: 149967-08-8
• 化学式: C₁₆H₂₃NO₅
• 分子量: 309.362
• InChiKey: FXRLWSYREBUSNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  84.9
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• [EN] NOVEL HISTONE METHYLTRANSFERASE INHIBITORS<br/>[FR] NOUVEAUX INHIBITEURS D'HISTONE MÉTHYLTRANSFÉRASES
  申请人：UNIV FREIBURG ALBERT LUDWIGS

  公开号：WO2021053158A1

  公开（公告）日：2021-03-25

  The present invention relates to novel compounds of formula (I) as defined herein. The compounds are inhibitors of histone methyltransferases of the seven-beta-strand family, in particular of KMT9.

  本发明涉及式(I)定义的新的化合物。这些化合物是七-β-链家族组蛋白甲基转移酶的抑制剂，特别是KMT9的抑制剂。
• Caspase inhibitors and uses thereof
  申请人：Charrier Jean-Damien

  公开号：US20050233979A1

  公开（公告）日：2005-10-20

  The present invention provides a compound of formula wherein the variables are as defined herein. The present invention also provides processes for preparing the compounds of formula I, and intermediates thereof, pharmaceutical compositions comprising those compounds, and methods of using the compounds and compositions.

  本发明提供了一种化合物，其化学式为其中变量的定义如本文所述。本发明还提供了制备化合物I及其中间体的方法，包括这些化合物的制药组合物，以及使用这些化合物和组合物的方法。
• CASPASE INHIBITORS AND USES THEREOF
  申请人：Charrier Jean-Damien

  公开号：US20100105914A1

  公开（公告）日：2010-04-29

  The present invention provides a compound of formula I: wherein the variables are as defined herein. The present invention also provides processes for preparing the compounds of formula I, and intermediates thereof, pharmaceutical compositions comprising those compounds, and methods of using the compounds and compositions.

  本发明提供了式I的化合物：其中变量的定义如本文所述。本发明还提供了制备式I化合物及其中间体的方法，包括这些化合物的制药组合物以及使用这些化合物和组合物的方法。
• ENZYME AND RECEPTOR MODULATION
  申请人：Chroma Therapeutics Ltd

  公开号：US20150126534A1

  公开（公告）日：2015-05-07

  Covalent conjugation of an alpha amino acid ester to a modulator of the activity of a target intracellular enzyme or receptor, wherein the ester group of the conjugate is hydrolysable by one or more intracellular carboxylesterase enzymes to the corresponding acid, leads to accumulation of the carboxylic acid hydrolysis product in the cell and enables improved or more prolonged enzyme or receptor modulation relative to the unconjugated modulator.

  将α-氨基酸酯共价连接到靶向细胞内酶或受体活性调节剂上，其中共轭物的酯基可被一个或多个细胞内羧酸酯酶水解为相应的酸，导致羧酸水解产物在细胞内积累，并相对于未共轭的调节剂实现改善或更长时间的酶或受体调节。
• Quinoline and quinoxaline derivatives as inhibitors of kinase enzymatic activity
  申请人：Davidson Alan Hornsby

  公开号：US20090131461A1

  公开（公告）日：2009-05-21

  Compounds of formula (IA) or (IB), are inhibitors of aurora kinase activity: Formula (IA), (IB) wherein -L1Y1-[CH2]z- is a linker radical wherein Y 1 , L 1 and z are as defined in the claims; R 6 is C 1 -C 4 alkoxy, hydrogen or halo; W represents a bond, —CH 2 —, —O—, —S—, —S(═O) 2 —, or NR 5 — where R 5 is hydrogen or C 1 -C 4 alkyl; Q is ═N—, ═CH— or ═C(X 1 )— wherein X is cyano, cyclopropyl or halo; linker radicals L are as defined in the claims; R is a radical of formula (X) or (Y): wherein R 1 is a carboxylic acid group (—COOH), or an ester group which is hydrolysable by one or more intracellular carboxylesterase enzymes to a carboxylic acid group; R 4 is hydrogen; or optionally substituted C 1 -C 6 alkyl, C 3 -C 7 cycloalkyl, aryl, aryl(C 1 -C 6 alkyl)-, heteroaryl, heteroaryl(C 1 -C 6 alkyl)-, —(C═O)R 3 , —(C═O)OR 3 , or —(C═O)NR 3 wherein R 3 is hydrogen or optionally substituted (C 1 -C 6 )alkyl, C 3 -C 7 cycloalkyl, aryl, aryl(C 1 -C 6 alkyl)-, heteroaryl, or heteroaryl(C 1 -C 6 alkyl)-; R 4 1 is hydrogen or optionally substituted C 1 -C 6 alkyl; and D is a mono-cyclic heterocyclic ring of 5 or 6 ring atoms.

  公式（IA）或（IB）的化合物是aurora激酶活性的抑制剂：公式（IA），（IB）其中-L1Y1-[CH2]z-是一个连接基团，其中Y1，L1和z如权利要求中所定义；R6是C1-C4烷氧基，氢或卤素；W代表键，—CH2—，—O—，—S—，—S（═O）2—或NR5—，其中R5是氢或C1-C4烷基；Q是═N—，═CH—或═C（X1）—，其中X是氰基，环丙基或卤素；连接基团L如权利要求中所定义；R是公式（X）或（Y）的基团：其中R1是羧酸基（—COOH），或可由一个或多个细胞内羧酸酯酶水解为羧酸基的酯基团；R4是氢；或者是可选的取代C1-C6烷基，C3-C7环烷基，芳基，芳基（C1-C6烷基）-，杂环芳基，杂环芳基（C1-C6烷基）-，—（C═O）R3，—（C═O）OR3或—（C═O）NR3，其中R3是氢或可选的取代（C1-C6）烷基，C3-C7环烷基，芳基，芳基（C1-C6烷基）-，杂环芳基或杂环芳基（C1-C6烷基）-；R41是氢或可选的取代C1-C6烷基；D是一个由5或6个环原子组成的单环杂环。