3-羟基-1-乙酰基-哌啶 | 1126736-22-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 3-羟基-1-乙酰基-哌啶
• 英文名称: 1-[(3S)-3-hydroxypiperidin-1-yl]ethan-1-one
• 英文别名: N-acetyl-(S)-3-hydroxypiperidine；1-((S)-3-Hydroxy-piperidin-1-yl)-ethanone；1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
• CAS: 1126736-22-8
• 化学式: C₇H₁₃NO₂
• mdl: MFCD12179758
• 分子量: 143.186
• InChiKey: HTFMTRPNNXNQRN-ZETCQYMHSA-N

物化性质

• 沸点：
  299.4±33.0 °C(Predicted)
• 密度：
  1.138±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  3-羟基-1-乙酰基-哌啶 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Discovery of Omecamtiv Mecarbil the First, Selective, Small Molecule Activator of Cardiac Myosin

  摘要：

  We report the design, synthesis, and optimization of the first, selective activators of cardiac myosin. Starting with a poorly soluble, nitroaromatic hit compound (1), potent, selective, and soluble myosin activators were designed culminating in the discovery of omecamtiv mecarbil (24). Compound 24 is currently in clinical trials for the treatment of systolic heart failure.

  DOI：

  10.1021/ml100138q
• 作为产物：
  描述：

  1-乙酰基哌啶-3-酮 在 Daucus carota 、 水 作用下， 以 乙醇 为溶剂， 反应 48.0h， 生成 1-[(3R)-3-羟基-1-哌啶基]乙酮 、 3-羟基-1-乙酰基-哌啶
  参考文献：
  名称：

  Daucus carota Mediated-Reduction of Cyclic 3-Oxo-amines

  摘要：

  Carrots (Daucus carota) were used to reduce cyclic amino-ketones in high yields and enantiomeric excesses. This cheap, eco-compatible, and efficient reducing reagent allows the easy access to precursors of biologically active products.

  DOI：

  10.1021/ol8029214

文献信息

• [EN] ARYL HETEROCYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES ARYLES COMME BLOQUEURS DES CANAUX POTASSIQUES SHAKER KV1.3
  申请人：DE SHAW RES LLC

  公开号：WO2022212296A1

  公开（公告）日：2022-10-06

  A compound of Formula (I), (I'), (II), (II'), (III), or (IV) or a pharmaceutically-acceptable salt thereof, is described, wherein the substituents are as defined herein. Pharmaceutical compositions comprising the same and method of using the same are also described.

  本文介绍了化合物I、I'、II、II'、III或IV的配方，或其药学上可接受的盐，其中取代基的定义如本文所述。还描述了包含上述化合物的药物组合物和使用该组合物的方法。
• Benzolactam compounds as protein kinase inhibitors
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：US10457669B2

  公开（公告）日：2019-10-29

  The invention provides a compound of formula (0): or a pharmaceutically acceptable salt, N-oxide or tautomer thereof; wherein: n is 1 or 2; X is CH or N; Y is selected from CH and C—F; Z is selected from C—Rz and N; R1 is selected from: -(Alk1)t-Cyc1; wherein t is 0 or 1; Optionally substituted C1-6 acyclic hydrocarbon groups R2 is selected from hydrogen; halogen; and C1-3 hydrocarbon groups optionally substituted with one or more fluorine atoms; R3 is hydrogen or a group L1-R7; R4 is selected from hydrogen; methoxy; and optionally substituted C1-3 alkyl; and R4a is selected from hydrogen and a C1-3 alkyl group; wherein Rz, Alk1, Cyc1, L1 and R7 are defined herein; provided that the compound is other than 6-benzyl-3-2-[(2-methylpyrimidin-4-yl)amino]pyridin-4-yl}-7,8-dihydro-1,6-naphthyridin-5(6H)-one and 3-2-[(2-methylpyrimidin-4-yl)amino]pyridin-4-yl}-7,8-dihydro-1,6-naphthyridin-5(6H)-one and salts and tautomers thereof. The compounds are inhibitors of ERK1/2 kinases and will be useful in the treatment of ERK1/2-mediated conditions. The compounds are therefore useful in therapy, in particular in the treatment of cancer.

  本发明提供了一种式 (0) 的化合物： 或其药学上可接受的盐、N-氧化物或同系物；其中 n 是 1 或 2 X 是 CH 或 N Y 选自 CH 和 C-F Z 选自 C-Rz 和 N； R1 选自 -(Alk1)t-Cyc1；其中 t 为 0 或 1； 任选取代的 C1-6 无环烃基团 R2 选自氢、卤素和任选被一个或多个氟原子取代的 C1-3 烃基； R3 是氢或基团 L1-R7； R4 选自氢、甲氧基和任选被取代的 C1-3 烷基；以及 R4a 选自氢和 C1-3 烷基； 其中 Rz、Alk1、Cyc1、L1 和 R7 在本文中定义； 只要该化合物不是 6-苄基-3-2-[(2-甲基嘧啶-4-基)氨基]吡啶-4-基}-7,8-二氢-1,6-萘啶-5(6H)-酮和 3-2-[(2-甲基嘧啶-4-基)氨基]吡啶-4-基}-7,8-二氢-1,6-萘啶-5(6H)-酮及其盐和它们的同系物。 这些化合物是 ERK1/2 激酶的抑制剂，可用于治疗 ERK1/2 介导的疾病。因此，这些化合物可用于治疗，特别是治疗癌症。
• Discovery of Novel Pyrazolylpyridine Derivatives for 20-Hydroxyeicosatetraenoic Acid Synthase Inhibitors with Selective CYP4A11/4F2 Inhibition
  作者：Madoka Kawamura、Yohei Kobashi、Hiroaki Tanaka、Ayako Bohno-Mikami、Makoto Hamada、Yuji Ito、Takashi Hirata、Hiroki Ohara、Naoki Kojima、Hiroko Koretsune、Emi Gunji、Takuya Fukunaga、Shoko Inatani、Yoshitaka Hasegawa、Akinori Suzuki、Teisuke Takahashi、Hiroyuki Kakinuma

  DOI：10.1021/acs.jmedchem.2c01089

  日期：2022.11.10
• BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：US20190047990A1

  公开（公告）日：2019-02-14

  The invention provides a compound of formula (0): or a pharmaceutically acceptable salt, N-oxide or tautomer thereof; wherein: n is 1 or 2; X is CH or N; Y is selected from CH and C—F; Z is selected from C—R z and N; R 1 is selected from: -(Alk 1 ) t -Cyc 1 ; wherein t is 0 or 1; Optionally substituted C 1-6 acyclic hydrocarbon groups R 2 is selected from hydrogen; halogen; and C 1-3 hydrocarbon groups optionally substituted with one or more fluorine atoms; R 3 is hydrogen or a group L 1 -R 7 ; R 4 is selected from hydrogen; methoxy; and optionally substituted C 1-3 alkyl; and R 4a is selected from hydrogen and a C 1-3 alkyl group; wherein R z , Alk 1 , Cyc 1 , L 1 and R 7 are defined herein; provided that the compound is other than 6-benzyl-3-2-[(2-methylpyrimidin-4-yl)amino]pyridin-4-yl}-7,8-dihydro-1,6-naphthyridin-5(6H)-one and 3-2-[(2-methylpyrimidin-4-yl)amino]pyridin-4-yl}-7,8-dihydro-1,6-naphthyridin-5(6H)-one and salts and tautomers thereof. The compounds are inhibitors of ERK1/2 kinases and will be useful in the treatment of ERK1/2-mediated conditions. The compounds are therefore useful in therapy, in particular in the treatment of cancer.
• AZOLE-SUBSTITUTED PYRIDINE COMPOUND
  申请人：TAISHO PHARMACEUTICAL CO., LTD.

  公开号：US20210040062A1

  公开（公告）日：2021-02-11

  The present invention provides a compound represented by formula [I′] shown below or a pharmaceutically acceptable salt thereof that has an inhibitory effect on 20-HETE producing enzyme, wherein the structure represented by formula [III] shown below represents any of the structures represented by formula group [IV] shown below, wherein R 1 represents a hydrogen atom, a fluorine atom, methyl, etc.; R 2 , R 3 , and R 4 each independently represent a hydrogen atom, a fluorine atom, or methyl; W represents a single bond, C 1-3 alkanediyl, or the formula —O—CH 2 CH 2 —; and ring A represents (a) substituted C 4-6 cycloalkyl, (b) substituted 4- to 6-membered saturated nitrogen-containing heterocyclyl, (c) substituted phenyl, (d) substituted pyridyl, (e) substituted 2,3-dihydrobenzofuran, (f) 4- to 6-membered saturated oxygen-containing heterocyclyl, etc.