1-(3-甲基丁基)-4-氨基哌啶 | 889060-82-6

• 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: 1-(3-甲基丁基)-4-氨基哌啶
• 英文名称: 1-iso-pentylpiperidin-4-amine
• 英文别名: 1-(3-Methylbutyl)piperidin-4-amine
• CAS: 889060-82-6
• 化学式: C₁₀H₂₂N₂
• 分子量: 170.298
• InChiKey: YVEVKXDLQFYGOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(3-甲基丁基)-4-氨基哌啶 、 2-carboxyl-1H-benzo[d]immidazole-4-carboxamide 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 以23.8%的产率得到N²-(1-iso-pentylpiperidin-4-yl)-1H-benzo[d]imidazole-2,4-dicarboxamide
  参考文献：
  名称：

  Discovery of 2-substituted 1 H -benzo[ d ]immidazole-4-carboxamide derivatives as novel poly(ADP-ribose)polymerase-1 inhibitors with in vivo anti-tumor activity

  摘要：

  Novel 1H-benzo[d]immidazole-4-carboxamide derivatives bearing five-membered or six-membered N-heterocyclic moieties at the 2-position were designed and synthesized as PARP-1 inhibitors. Structure activity relationships were conducted and led to a number of potent PARP-1 inhibitors having IC50 values in the single or double digit nanomolar level. Some potent PARP-1 inhibitors also had similar inhibitory activities against PARP-2. Among all the synthesized compounds, compound 10a and 11e displayed strong potentiation effects on temozolomide (TMZ) in MX-1 cells (PF50 = 7.10, PF50 = 4.17). In vivo tumor growth inhibition was investigated using compound 10a in combination with TMZ, and it was demonstrated that compound 10a could strongly potentiate the cytotoxicity of TMZ in MX-1 xenograft tumor model. Two co-crystal structures of compounds 11b and 15e complexed with PARP-1 were achieved and demonstrated a unique binding mode of these benzo-imidazole derivatives. (C) 2017 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2017.03.013
• 作为产物：
  描述：

  1-Boc-4-氨基哌啶 在 palladium 10% on activated carbon 、 氢气 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 27.0h， 生成 1-(3-甲基丁基)-4-氨基哌啶
  参考文献：
  名称：

  Discovery of 2-substituted 1 H -benzo[ d ]immidazole-4-carboxamide derivatives as novel poly(ADP-ribose)polymerase-1 inhibitors with in vivo anti-tumor activity

  摘要：

  Novel 1H-benzo[d]immidazole-4-carboxamide derivatives bearing five-membered or six-membered N-heterocyclic moieties at the 2-position were designed and synthesized as PARP-1 inhibitors. Structure activity relationships were conducted and led to a number of potent PARP-1 inhibitors having IC50 values in the single or double digit nanomolar level. Some potent PARP-1 inhibitors also had similar inhibitory activities against PARP-2. Among all the synthesized compounds, compound 10a and 11e displayed strong potentiation effects on temozolomide (TMZ) in MX-1 cells (PF50 = 7.10, PF50 = 4.17). In vivo tumor growth inhibition was investigated using compound 10a in combination with TMZ, and it was demonstrated that compound 10a could strongly potentiate the cytotoxicity of TMZ in MX-1 xenograft tumor model. Two co-crystal structures of compounds 11b and 15e complexed with PARP-1 were achieved and demonstrated a unique binding mode of these benzo-imidazole derivatives. (C) 2017 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2017.03.013

文献信息

• PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING ACUTE MYELOID LEUKEMIA OR METASTATIC BREAST CANCER
  申请人：PELEMED CO., LTD.

  公开号：US20200270229A1

  公开（公告）日：2020-08-27

  The present invention relates to a pharmaceutical composition for preventing or treating acute myeloid leukemia or metastatic breast cancer, comprising, as an active ingredient, an indirubin derivative. When the compound of the present invention is used, it can effectively inhibit the activity of FLT3 kinase and can be usefully used to prevent or treat acute myeloid leukemia or metastatic breast cancer.

  本发明涉及一种用于预防或治疗急性髓样白血病或转移性乳腺癌的药物组合物，其包括一种因地鲁宾衍生物作为活性成分。当使用本发明的化合物时，可以有效抑制FLT3激酶的活性，并可用于预防或治疗急性髓样白血病或转移性乳腺癌。
• Novel 4-Aminopiperidine Derivatives
  申请人：Boss Christoph

  公开号：US20080076762A1

  公开（公告）日：2008-03-27

  Novel substituted 4-aminopiperidine derivatives of the formula I: wherein n, R 1 , Y, and are as defined in claim 1, and optically pure enantiomers, mixtures of enantiomers, racemates, diastereomers, mixtures of diastereomers, diastereomeric racemates, mixtures of diastereomeric racemates and meso-forms, as well as salts and solvent complexes of such compounds, and morphological forms, that exhibit useful parasite aspartic proteases inhibiting properties and can thus be used in the form of pharmaceutical compositions as antimalarial medicines.

  新型替代4-氨基哌啶衍生物的化学式I： 其中n，R1，Y和如权利要求1中定义的是光学纯对映体，对映体混合物，外消旋体，二对映异构体，对映异构体混合物，对映异构体外消旋体，对映异构体外消旋体混合物和中间体形式，以及这些化合物的盐和溶剂络合物，以及表现出有用的寄生虫天冬氨酸蛋白酶抑制特性的形态形式，因此可以作为抗疟药物的药用组合物的形式使用。
• [EN] BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS<br/>[FR] DÉRIVÉS DE SPIRO[2.4]HEPTANE PONTÉS UTILES EN TANT QU'AGONISTES DU RÉCEPTEUR DE ALX ET/OU DU RÉCEPTEUR FPRL2
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2010134014A1

  公开（公告）日：2010-11-25

  The present invention relates to bridged spiro[2.4]heptane derivatives of formula (I), wherein W, Y, Z, R1 and R2 are as defined in the description, their preparation and their use as pharmaceutically active compounds as ALX receptor and/or FPRL2 agonists for the treatment of inflammatory and obstructive airways diseases.

  本发明涉及桥式螺[2.4]庚烷衍生物的化学式(I)，其中W、Y、Z、R1和R2如描述中所定义，它们的制备及其作为药用活性化合物的ALX受体和/或FPRL2激动剂在治疗炎症性和梗阻性气道疾病中的用途。
• BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS
  申请人：Bur Daniel

  公开号：US20120115841A1

  公开（公告）日：2012-05-10

  The present invention relates to bridged spiro[2.4]heptane derivatives of formula (I), wherein W, Y, Z, R 1 and R 2 are as defined in the description, their preparation and their use as pharmaceutically active compounds as ALX receptor and/or FPRL2 agonists for the treatment of inflammatory and obstructive airways diseases.

  本发明涉及桥联螺[2.4]庚烷衍生物，其化学式为（I），其中W、Y、Z、R1和R2如描述中所定义，其制备以及作为药物活性化合物的ALX受体和/或FPRL2激动剂用于治疗炎症和阻塞性呼吸道疾病。
• Pharmaceutical composition for preventing or treating acute myeloid leukemia or metastatic breast cancer
  申请人：PELEMED CO., LTD.

  公开号：US11370779B2

  公开（公告）日：2022-06-28

  The present invention relates to a pharmaceutical composition for preventing or treating acute myeloid leukemia or metastatic breast cancer, comprising, as an active ingredient, an indirubin derivative. When the compound of the present invention is used, it can effectively inhibit the activity of FLT3 kinase and can be usefully used to prevent or treat acute myeloid leukemia or metastatic breast cancer.

  本发明涉及一种用于预防或治疗急性髓性白血病或转移性乳腺癌的药物组合物，其活性成分包括一种靛红衍生物。当使用本发明的化合物时，它可以有效地抑制FLT3激酶的活性，可用于预防或治疗急性髓性白血病或转移性乳腺癌。