3-氨基-1-(哌啶-1-基)丙烷-1-酮 | 161862-09-5

• 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
• 中文名称: 3-氨基-1-(哌啶-1-基)丙烷-1-酮
• 中文别名: 3-氨基-1-哌啶-1-基丙烷-1-酮盐酸盐；3-氨基-1-哌啶-1-基丙烷-1-酮
• 英文名称: 3-Amino-1-(piperidin-1-yl)propan-1-one
• 英文别名: 3-amino-1-piperidin-1-ylpropan-1-one
• CAS: 161862-09-5
• 化学式: C₈H₁₆N₂O
• mdl: MFCD06212596
• 分子量: 156.23
• InChiKey: WXNXYKNQQCRFSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933399090

文献信息

• 12-EPI PLEUROMUTILINS
  申请人：NABRIVA THERAPEUTICS AG

  公开号：US20160332963A1

  公开（公告）日：2016-11-17

  A compound selected from 14-O-[((Alkyl-, cycloalkyl-, heterocycloalkyl-, heteoroaryl-, or aryl)-sulfanyl)-acetyl]-12-epi-mutilins, or 14-O-[((Alkyl-, cycloalkyl-, heterocycloalkyl-, heteoroaryl-, or aryl)-oxy)-acetyl]-12-epi-mutilins, wherein 12-epi-mutilin is characterized in that the mutilin ring at position 12 is substituted by two substituents, the first substituent at position 12 of the mutilin ring is a methyl group which methyl group has the inverse stereochemistry compared with the stereochemistry of the methyl group at position 12 of the naturally occurring pleuromutilin ring, the second substituent at position 12 of the mutilin ring is a hydrocarbon group comprising at least one nitrogen atom and all other substituents of the mutilin ring having the same stereochemistry compared with the stereochemistry of the substituents at the corresponding positions in the naturally occurring pleuromutilin ring; optionally in the form of a salt and/or solvate, wherein the naturally occurring pleuromutilin is of formula processes for the preparation of such compounds and their use as pharmaceuticals.

  从14-O-[((烷基、环烷基、杂环烷基、杂环芳基或芳基)-硫基)-乙酰基]-12-epi-木替林，或14-O-[((烷基、环烷基、杂环烷基、杂环芳基或芳基)-氧基)-乙酰基]-12-epi-木替林中选择的一种化合物，其中12-epi-木替林的特征在于木替林环在位置12被两个取代基取代，木替林环在位置12的第一个取代基是一个甲基基团，该甲基基团的立体化学与天然存在的普鲁木替林环在位置12的甲基基团的立体化学相反，木替林环在位置12的第二个取代基是一个含有至少一个氮原子的碳氢基团，木替林环的所有其他取代基与天然存在的普鲁木替林环中相应位置的取代基的立体化学相同；可选地以盐和/或溶剂的形式存在，其中天然存在的普鲁木替林的化学式为 制备这类化合物的方法以及它们作为药物的用途。
• Dipeptide Mimics, Libraries Combining Two Dipeptide Mimics with a Third Group, and Methods for Production Thereof
  申请人：Burgess Kevin

  公开号：US20120232268A1

  公开（公告）日：2012-09-13

  Monovalent compounds having moieties comprising at least one amino acid side chain are bound to a core molecule, which also comprises a nucleophilic moiety bound to said core molecule. Monovalent compounds also comprise a macrocyclic ring, a nucleophilic moiety, and a spacer group. Monovalent compounds may be combined into bivalent and trivalent compounds, some of which may have a labeling tag. Methods of production of bivalent compounds and contemplated uses thereof are disclosed.

  含有至少一个氨基酸侧链的单价化合物与核心分子结合，该核心分子还包括与所述核心分子结合的亲核团。单价化合物还包括一个大环环，一个亲核团和一个间隔基团。单价化合物可以组合成双价和三价化合物，其中一些可能具有标记标签。公开了双价化合物的生产方法和拟议的用途。
• [EN] THERAPEUTIC USE OF PLEUROMUTILINS<br/>[FR] UTILISATION THÉRAPEUTIQUE DE PLEUROMUTILINES
  申请人：NABRIVA THERAPEUTICS GMBH

  公开号：WO2021209596A1

  公开（公告）日：2021-10-21

  A compound selected from 14-O-[((Alkyl-, cycloalkyl-, heterocycloalkyl-, heteroraryl-, or aryl)-sulfanyl)-acetyl]-12-epi-mutilins, or 14-O-[((Alkyl-, cycloalkyl-, heterocycloalkyl-, heteroaryl-, or aryl)-oxy)-acetyl]-12-epi-mutilins, wherein 12-epi-mutilin is characterized in that the mutilin ring at position 12 is substituted by two substituents, the first substituent at position 12 of the mutilin ring is a methyl group which methyl group has the inverse stereochemistry compared with the stereochemistry of the methyl group at position 12 of the naturally occurring pleuromutilin ring, the second substituent at position 12 of the mutilin ring is a hydrocarbon group comprising at least one nitrogen atom and all other substituents of the mutilin ring having the same stereochemistry compared with the stereochemistry of the substituents at the corresponding positions in the naturally occurring pleuromutilin ring; optionally in the form of a pharmaceutically acceptable salt and/or solvate, prodrug or metabolite, wherein the naturally occurring pleuromutilin is of formula (I) for the specific use in the treatment or prevention of a disease mediated by a virus. The invention further relates to 12-epi-12-desvinyl-14-O-[(Piperidin-4-ylsulfanyl]-acetyl]-12- [2-(3-methyl-pyrazin-2-yl)-ethenyl]-mutilin and its therapeutic uses.

  从14-O-[((烷基、环烷基、杂环烷基、杂环芳基或芳基)-硫代基)-乙酰基]-12-epi-木酮霉素，或14-O-[((烷基、环烷基、杂环烷基、杂环芳基或芳基)-氧基)-乙酰基]-12-epi-木酮霉素中选择的化合物，其中12-epi-木酮霉素的特征在于木酮霉素环在位置12处被两个取代基取代，木酮霉素环在位置12处的第一个取代基是一个甲基基团，该甲基基团与自然产生的普鲁木酮霉素环在位置12处的甲基基团的立体化学相反，木酮霉素环在位置12处的第二个取代基是一个含有至少一个氮原子的碳氢基团，木酮霉素环的所有其他取代基与自然产生的普鲁木酮霉素环在相应位置的取代基的立体化学相同；可选地以药学上可接受的盐和/或溶剂、前药或代谢物的形式存在，其中自然产生的普鲁木酮霉素的化学式为(I)，用于治疗或预防由病毒介导的疾病。该发明还涉及12-epi-12-去乙烯基-14-O-[(哌啶-4-基硫基]-乙酰基]-12-[2-(3-甲基吡嗪-2-基)-乙烯基]-木酮霉素及其治疗用途。
• [EN] OPTICAL RESOLUTION OF (1-BENZYL-4-METHYLPIPERIDIN-3-YL) -METHYLAMINE AND THE USE THEREOF FOR THE PREPARATION OF PYRROLO 2,3-PYRIMIDINE DERIVATIVES AS PROTEIN KINASES INHIBITORS<br/>[FR] RESOLUTION OPTIQUE DE (1-BENZYL-4-METHYLPIPERIDINE-3-YLE) METHYLAMINE ET SON UTILISATION POUR LA PREPARATION DE DERIVES DE PYRROLO 2,3-PYRIMIDINE UTILISES COMME INHIBITEURS DE PROTEINES KINASE
  申请人：PFIZER PROD INC

  公开号：WO2002096909A1

  公开（公告）日：2002-12-05

  A method for resolving enantiomers of a compound containing the structure of the formula (I): wherein R4 or R5 may contain one or more asymmetric centers, by mixing a racemic mixture of enantiomers of a compound, containing the structure of said formula; in a solvent, with a resolving compound having a defined stereospecificity, to form a solution and with said resolving agent being capable of binding with at least one but not all of said enantiomers to form a precipitate, containing said at least one of said enantiomers in stereospecific form and collecting either the precipitate and purifying it or collecting the solution with contained other of said enantiomers and recrystalizing the enantiomer contained in said solution.

  一种用于分离含有公式（I）结构的化合物的对映异构体的方法，其中R4或R5可能包含一个或多个不对称中心，通过将含有该公式结构的化合物的对映异构体的混合物与一个具有定义的立体特异性的分离剂混合在溶剂中，形成溶液，所述分离剂能够与至少一个但不是全部的对映异构体结合形成沉淀，其中包含所述至少一个对映异构体的立体特异形式，并收集沉淀并纯化它，或收集所述溶液并重新结晶所述溶液中所含的其他对映异构体并分离所述溶液中所含的所述对映异构体。
• INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1
  申请人：Laboratorios SALVAT, S.A.

  公开号：EP2439202B1

  公开（公告）日：2016-04-20