4-(1-tert-butoxycarbonyl-1,2,3,6-tetrahydropyridin-4-yl)benzoic acid | 222987-62-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(1-tert-butoxycarbonyl-1,2,3,6-tetrahydropyridin-4-yl)benzoic acid
• 英文别名: tert-Butyl 4-(4-Carboxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate；4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]benzoic acid
• CAS: 222987-62-4
• 化学式: C₁₇H₂₁NO₄
• 分子量: 303.358
• InChiKey: NBOZQJUIOCDUQL-UHFFFAOYSA-N

物化性质

• 沸点：
  450.2±45.0 °C(Predicted)
• 密度：
  1.200±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(1-tert-butoxycarbonyl-1,2,3,6-tetrahydropyridin-4-yl)benzoic acid 在 5%-palladium/activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 60.0 ℃ 、500.01 kPa 条件下， 反应 8.0h， 以95%的产率得到1-BOC-4-(4-羧基苯基)哌啶
  参考文献：
  名称：

  一种合成1-叔丁氧羰基-4-(4-羧基苯基)哌啶的制备方法

  摘要：

  本发明公开了一种合成1‑叔丁氧羰基‑4‑(4‑羧基苯基)哌啶的制备方法，包括以下步骤：以对二溴苯或对碘溴苯为原料，与N‑Boc‑4‑哌啶酮反应得到中间体2，然后跟二氧化碳反应得到中间体3，以中间体3制备中间体4，最后中间体3直接进行氢化或通过中间体4进行氢化得到目标产物5。本发明采用常见试剂，原料成本低、合成工艺简单、收率高、无苛刻的反应条件、安全且对环境友好，适合于大规模工业化生产。

  公开号：

  CN111056990B
• 作为产物：
  描述：

  1-Boc-4-(4-溴苯基)-哌啶-4-醇 在 盐酸 、 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 、 水 为溶剂， 反应 12.5h， 生成 4-(1-tert-butoxycarbonyl-1,2,3,6-tetrahydropyridin-4-yl)benzoic acid
  参考文献：
  名称：

  一种合成1-叔丁氧羰基-4-(4-羧基苯基)哌啶的制备方法

  摘要：

  本发明公开了一种合成1‑叔丁氧羰基‑4‑(4‑羧基苯基)哌啶的制备方法，包括以下步骤：以对二溴苯或对碘溴苯为原料，与N‑Boc‑4‑哌啶酮反应得到中间体2，然后跟二氧化碳反应得到中间体3，以中间体3制备中间体4，最后中间体3直接进行氢化或通过中间体4进行氢化得到目标产物5。本发明采用常见试剂，原料成本低、合成工艺简单、收率高、无苛刻的反应条件、安全且对环境友好，适合于大规模工业化生产。

  公开号：

  CN111056990B

文献信息

• COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR
  申请人：Arvinas, Inc.

  公开号：US20180099940A1

  公开（公告）日：2018-04-12

  The present disclosure relates to bifunctional compounds, which find utility to degrade and (inhibit) Androgen Receptor. In particular, the present disclosure is directed to compounds, which contain on one end a cereblon ligand which binds to the E3 ubiquitin ligase and on the other end a moiety which binds Androgen Receptor, such that Androgen Receptor is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of Androgen Receptor. The present disclosure exhibits a broad range of pharmacological activities associated with compounds according to the present disclosure, consistent with the degradation/inhibition of Androgen Receptor.

  本公开涉及双功能化合物，其用于降解和（抑制）雄激素受体。具体而言，本公开涉及包含一端结合到E3泛素连接酶的谷氨酰腺苷环配体，另一端结合到雄激素受体的部分的化合物，使得雄激素受体与泛素连接酶靠近，以实现雄激素受体的降解（和抑制）。本公开展示了与根据本公开涉及的化合物相关的广泛的药理活性范围，与雄激素受体的降解/抑制一致。
• NOVEL SULFONYL DERIVATIVES
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP1104754A1

  公开（公告）日：2001-06-06

  Sulfonyl derivatives represented by the following general formula (I): Q1-Q2-T1-Q3-SO2-QA and drugs containing the same (wherein Q1 is an optionally substituted, saturated or unsaturated, five- or six-membered cyclic hydrocarbon group, a five- or six-membered heterocyclic group, or the like; Q2 is a single band, oxygen, sulfur, C1-C6 alkylene or the like; QA is optionally substituted arylalkenyl, heteroarylalkenyl or the like; and T1 is carbonyl or the like). These compounds have potent FXa-inhibitory effects and promptly exert satisfactory and persistent antithrombotic effects through oral administration, thus being useful as anticoagulant agents little accompanied with side effects.

  以下是通用公式（I）所代表的磺酰衍生物：Q1-Q2-T1-Q3-SO2-QA以及含有这些衍生物的药物（其中Q1是可选择地取代的饱和或不饱和的五元或六元环烃基团，五元或六元杂环基团等；Q2是单键，氧，硫，C1-C6烷基或类似物；QA是可选择地取代的芳基烯烃基团，杂环芳基烯烃基团或类似物；T1是羰基或类似物）。这些化合物具有强大的FXa抑制作用，并通过口服迅速产生令人满意且持久的抗血栓作用，因此可作为几乎不伴随副作用的抗凝血剂。
• Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds
  申请人：Aventis Pharmaceuticals Inc.

  公开号：US06541505B1

  公开（公告）日：2003-04-01

  This invention is directed to an (aminoiminomethyl or aminomethyl)benzoheteroaryl compound of formula I which is useful for inhibiting the activity of Factor Xa by combining said compound with a composition containing Factor Xa. The present invention is also directed to compositions containing compounds of the formula I, methods for their preparation, their use, such as in inhibiting the formation of thrombin or for treating a patient suffering from, or subject to, a disease state associated with a physiologically detrimental excess amount of thrombin.

  这项发明涉及一种化合物，其化学式为I，该化合物是(aminoiminomethyl或aminomethyl)benzoheteroaryl化合物，可通过将该化合物与含有凝血因子Xa的组合物结合来抑制凝血因子Xa的活性。本发明还涉及含有化合物I的组合物、其制备方法以及它们的用途，如用于抑制凝血酶的形成或用于治疗患有与生理上有害的凝血酶过量相关的疾病状态的患者。
• Novel sulfonyl derivatives
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：US20040082611A1

  公开（公告）日：2004-04-29

  Described in the present invention are a sulfonyl derivative represented by the following formula (I): Q 1 -Q 2 -T 1 -Q 3 -SO 2 -Q A (I) [wherein Q 1 represents a saturated or unsaturated 5- or 6-membered cyclic hydrocarbon group, 5- or 6-membered heterocyclic group, dicyclic fused ring or tricyclic fused ring group which may have a substituent; Q 2 represents a single bond, an oxygen atom, a sulfur atom, a linear or branched C 1-6 alkylene group or the like; Q A represents an arylalkenyl group which may have a substituent or a heteroarylalkenyl group which may have a substituent; and T 1 represents a carbonyl group or the like] and a medicament comprising the same. The compound has strong FXa inhibitory action, provides prompt, sufficient and long-lasting anti-thrombus effects when orally administered, and has low side effects and is therefore useful as an excellent anticoagulant.

  本发明描述了一种由以下式(I)表示的磺酰基衍生物： Q1-Q2-T1-Q3-SO2-QA(I) [其中，Q1表示饱和或不饱和的5-或6-环烃基、5-或6-杂环基、二环融合环或三环融合环基，可能具有取代基；Q2表示单键、氧原子、硫原子、线性或支链的C1-6烷基等；QA表示可能具有取代基的芳基烯基或杂芳基烯基；T1表示羰基基团或类似物]，以及包含该化合物的药物。该化合物具有强烈的FXa抑制作用，口服后提供快速、充分和持久的抗血栓效果，并且具有低副作用，因此可用作优秀的抗凝剂。
• Sulfonyl derivatives
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：US20030232808A1

  公开（公告）日：2003-12-18

  Described is a sulfonyl derivative represented by the following formula (I): 1 [wherein R 1 represents a hydrogen atom, a hydroxyl group, a nitro group or the like, R 2 and R 3 each independently represents a hydrogen atom, a halogen atom or the like, R 4 and R 5 each independently represents a hydrogen atom, a halogen atom or the like, Q 1 represents a saturated or unsaturated 5- or 6-membered cyclic hydrocarbon group which may be substituted, or the like, Q 2 represents a single bond, an oxygen atom or the like, Q 3 represents any one of the following groups: 2 T 1 represents a carbonyl group or the like, and X 1 and X 2 each independently represents a methine group or a nitrogen atom]; or salt thereof; or solvate thereof. The sulfonyl derivative, salt or solvate according to the present invention is novel as an excellent anticoagulant and it has strong FXa inhibitory action, rapidly exhibits sufficient and long-lasting anti-thrombus effects after oral administration and has less side effects.

  本发明涉及一种磺酰基衍生物，其表示为以下式子（I）：1[其中，R1代表氢原子、羟基、硝基或类似物，R2和R3各自独立地代表氢原子、卤素原子或类似物，R4和R5各自独立地代表氢原子、卤素原子或类似物，Q1代表饱和或不饱和的5或6元环烃基，可以被取代，或类似物，Q2代表单键、氧原子或类似物，Q3代表以下任意一种基团：2T1代表羰基或类似物，X1和X2各自独立地代表亚甲基基团或氮原子]；或其盐；或其溶剂化物。根据本发明的磺酰基衍生物，盐或溶剂化物作为一种优异的抗凝血剂是新颖的，具有强烈的FXa抑制作用，在口服后迅速表现出足够持久的抗血栓效果，并且副作用较少。