(R)-1-BOC-2-甲酸哌嗪 | 278788-60-6

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - BOC-氨基酸
• 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: (R)-1-BOC-2-甲酸哌嗪
• 中文别名: (R)-1-BOC-2-哌嗪甲酸；(R)-哌嗪-1,2-二羧酸1-叔丁酯；(R)-1-N-BOC-哌嗪-2-甲酸；(R)-1-Boc-哌嗪-2-羧酸；(R)-哌嗪-1,2-二羧酸 1-叔丁酯；(R)-4-叔丁氧哌嗪-3-羧酸；(R)-4-Boc-哌嗪-3-羧酸
• 英文名称: (2R)-1-tert-butoxycarbonylpiperazine-2-carboxylic acid
• 英文别名: (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-4-ium-2-carboxylate
• CAS: 278788-60-6
• 化学式: C₁₀H₁₈N₂O₄
• 分子量: 230.264
• InChiKey: MPOFEHGMWPHBSF-SSDOTTSWSA-N

物化性质

• 熔点：
  243-247 ºC (DEC.)
• 沸点：
  371.8±37.0 °C(Predicted)
• 密度：
  1.193±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  78.9
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26
• 危险类别码：
  R36/37/38
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  (R)-N-1-Boc-N-4-Cbz-2-哌嗪甲酸	(2R)-4-[(benzyloxy)carbonyl]-1-[(tert-butoxy)carbonyl]piperazine-2-carboxylic acid	138775-02-7	C18H24N2O6	364.398

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  ——	(2R)-1-(tert-butoxycarbonyl)-4-methylpiperazine-2-carboxylic acid	363192-62-5	C11H20N2O4	244.291
  ——	(2R)-1-(tert-butoxycarbonyl)-4-ethylpiperazine-2-carboxylic acid	894801-85-5	C12H22N2O4	258.318
  ——	(2R)-1-tert-butoxycarbonyl-4-isopropyl-piperazine-2-carboxylic acid	894801-90-2	C13H24N2O4	272.345
  (R)-1-Boc-2-哌嗪甲酸甲酯	1-tert-butyl 2-methyl (2R)-piperazine-1,2-dicarboxylate	252990-05-9	C11H20N2O4	244.291
  ——	tert-butyl (2R)-4-ethyl-2-(piperazin-1-ylcarbonyl)piperazine-1-carboxylate	894801-83-3	C16H30N4O3	326.439
  ——	tert-butyl (2R)-4-isopropyl-2-(piperazin-1-ylcarbonyl)piperazine-1-carboxylate	894801-87-7	C17H32N4O3	340.466
  ——	tert-butyl (2R)-2-[(4-benzylpiperazin-1-yl)carbonyl]piperazine-1-carboxylate	894801-94-6	C21H32N4O3	388.51

反应信息

• 作为反应物：
  描述：

  (R)-1-BOC-2-甲酸哌嗪 在 N-甲基吗啉 、 sodium carbonate 、 4-(4,6-二甲氧基三嗪-2-基)-4-甲基吗啉盐酸盐 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  The design and synthesis of novel, potent and orally bioavailable N-aryl piperazine-1-carboxamide CCR2 antagonists with very high hERG selectivity

  摘要：

  A novel N-aryl piperazine-1-carboxamide series of human CCR2 chemokine receptor antagonists was discovered. Early analogues were potent at CCR2 but also inhibited the hERG cardiac ion channel. Structural modifications which decreased lipophilicity and basicity resulted in the identification of a sub-series with an improved margin over hERG. The pharmacological and pharmacokinetic properties of the lead compound from this series, N-(3,4-dichlorophenyl)-4-[(2R)-4-isopropylpiperazine-2-carbonyl]piperazine-1-carboxamide, are described. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.118
• 作为产物：
  描述：

  (R)-N-1-Boc-N-4-Cbz-2-哌嗪甲酸 在 palladium 10% on activated carbon 氢气 作用下， 以 乙醇 、 水 为溶剂， 反应 18.0h， 生成 (R)-1-BOC-2-甲酸哌嗪
  参考文献：
  名称：

  FARNESYL PROTEIN TRANSFERASE INHIBITORS

  摘要：

  公开号：

  EP1140904B1

文献信息

• [EN] CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE<br/>[FR] INHIBITEURS DE LA CÉRAMIDE GALACTOSYLTRANSFÉRASE POUR LE TRAITEMENT DE MALADIES
  申请人：BIOMARIN PHARM INC

  公开号：WO2019104011A1

  公开（公告）日：2019-05-31

  Described herein are compounds, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or disorders associated with the enzyme ceramide galactosyltransferase (CGT), such as, for example, lysosomal storage diseases. Examples of lysosomal storage diseases include, for example, Krabbe disease and Metachromatic Leukodystrophy.

  本发明涉及化合物、制造此类化合物的方法、包含此类化合物的药物组合物和药剂，以及使用此类化合物治疗或预防与鞘氨醇半乳糖基转移酶（CGT）相关疾病或失调的方法，例如，例如，溶酶体贮积病。溶酶体贮积病的例子包括，例如，克拉伯病和异染性脑白质营养不良。
• [EN] MITOCHONDRIAL TARGETING COMPOUNDS FOR THE TREATMENT OF ASSOCIATED DISEASES<br/>[FR] COMPOSÉS DE CIBLAGE MITOCHONDRIAL POUR LE TRAITEMENT DE MALADIES ASSOCIÉES
  申请人：UNIV MICHIGAN REGENTS

  公开号：WO2021242753A1

  公开（公告）日：2021-12-02

  Mitochondrial targeting compounds for the treatment of cancer and other disorders associated with mitochondrial function, including diabetes, autoimmune diseases, inflammatory diseases, cardiovascular diseases and neurodegenerative diseases and their preparation. The present invention is also directed to the pharmaceutical compositions and treatment methods, prodrugs based on those compounds and the use thereof.

  针对线粒体功能的癌症和其他疾病的治疗线粒体靶向化合物，包括糖尿病，自身免疫疾病，炎症性疾病，心血管疾病和神经退行性疾病及其制备方法。本发明还涉及基于这些化合物的药物组合物、治疗方法、前药及其用途。
• [EN] ANTAGONIST COMPOUNDS<br/>[FR] COMPOSÉS ANTAGONISTES
  申请人：ADORX THERAPEUTICS LTD

  公开号：WO2022023772A1

  公开（公告）日：2022-02-03

  The present invention relates to compounds of formula (I) shown below: wherein R1, R2, R3, R4, R5 and R6 are each as defined in the application. The present invention also relates to processes for the preparation of these compounds, to pharmaceutical compositions comprising them, and to their use in the treatment of diseases or conditions in which adenosine A2a and/or A2b receptor activity is implicated, such as, for example, cancer.

  本发明涉及如下所示的式(I)化合物：其中R1、R2、R3、R4、R5和R6在申请中各自定义。本发明还涉及制备这些化合物的方法，包括含有它们的药物组合物，以及它们在治疗腺苷A2a和/或A2b受体活性参与的疾病或病况中的用途，例如癌症。
• [EN] QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS<br/>[FR] DERIVES DE QUINAZOLINE UTILISES COMME AGENTS ANTI-TUMEUR
  申请人：ASTRAZENECA AB

  公开号：WO2005026152A1

  公开（公告）日：2005-03-24

  A quinazoline derivative of the formula (I): (A chemical formula should be inserted here - please see paper copy enclosed) Formula I wherein the substituents are as defined in the text for use in the production of an anti proliferative effect which effect is produced alone or in part by inhibiting erbB2 receptor tyrosine kinase in a warm blooded animal such as man.

  一种喹唑啉衍生物的化学式（I）：（请参阅附上的纸质副本以获取化学式）化学式 I，其中取代基如文本中定义的那样，用于生产抗增殖作用，该作用通过在温血动物（如人）中部分或完全抑制erbB2受体酪氨酸激酶而产生。
• Substituted piperidines as melanocortin receptor agonists
  申请人：——

  公开号：US20020019523A1

  公开（公告）日：2002-02-14

  Certain novel substituted piperidine compounds are agonists of the human melanocortin receptor(s) and, in particular, are selective agonists of the human melanocortin-4 receptor (MC-4R). They are therefore useful for the treatment, control, or prevention of diseases and disorders responsive to the activation of MC-4R, such as obesity, diabetes, sexual dysfunction, including erectile dysfunction and female sexual dysfunction.

  某些新型取代吡啶化合物是人类黑色素皮质素受体的激动剂，特别是是人类黑色素皮质素-4受体（MC-4R）的选择性激动剂。因此，它们可用于治疗、控制或预防对MC-4R激活有反应的疾病和障碍，例如肥胖症、糖尿病、性功能障碍，包括勃起功能障碍和女性性功能障碍。