ethyl 2-(4-hexylphenyl)-4-methyl-3-oxopentanoate | 1379575-58-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: ethyl 2-(4-hexylphenyl)-4-methyl-3-oxopentanoate
• 英文别名: Ethyl 2-(4-hexylphenyl)-4-methyl-3-oxopentanoate
• CAS: 1379575-58-2
• 化学式: C₂₀H₃₀O₃
• 分子量: 318.456
• InChiKey: MNWNRTAVJIZQKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  23
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  t-butyl 2-(2-phenylpropan-2-yl)hydrazinecarboxylate 、 ethyl 2-(4-hexylphenyl)-4-methyl-3-oxopentanoate 在 对甲苯磺酸 、 溶剂黄146 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 31.0h， 以130mg的产率得到4-(4-hexylphenyl)-3-isopropyl-1-(2-methyl-1-p-tolylpropan-2-yl)-1H-pyrazol-5-ol
  参考文献：
  名称：

  Method for producing hematopoietic stem cells using pyrazole compounds

  摘要：

  提供一种用于治疗各种造血系统疾病的造血干细胞和/或造血祖细胞的扩增剂，并用于提高基因转移效率以进行基因治疗。提供一种生产造血干细胞和/或造血祖细胞的方法，包括通过在存在以下式(I)所代表的化合物的情况下将造血干细胞在体外培养来扩增造血干细胞，该化合物的互变异构体或药用盐或其溶剂（其中R1至R8如描述中所定义）。

  公开号：

  US09212348B2
• 作为产物：
  描述：

  2-(4-hexylphenyl)acetic acid 在 硫酸 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 17.0h， 生成 ethyl 2-(4-hexylphenyl)-4-methyl-3-oxopentanoate
  参考文献：
  名称：

  Method for producing hematopoietic stem cells using pyrazole compounds

  摘要：

  提供一种用于治疗各种造血系统疾病的造血干细胞和/或造血祖细胞的扩增剂，并用于提高基因转移效率以进行基因治疗。提供一种生产造血干细胞和/或造血祖细胞的方法，包括通过在存在以下式(I)所代表的化合物的情况下将造血干细胞在体外培养来扩增造血干细胞，该化合物的互变异构体或药用盐或其溶剂（其中R1至R8如描述中所定义）。

  公开号：

  US09212348B2

文献信息

• PYRAZOLE COMPOUNDS HAVING THERAPEUTIC EFFECT ON MULTIPLE MYELOMA
  申请人：Nishino Taito

  公开号：US20130253204A1

  公开（公告）日：2013-09-26

  Novel therapeutic agents for myeloma are provided. A therapeutic agent for multiple myeloma containing a pyrazole compound represented by the formula (1): wherein R 1 is C 1 -C 6 alkyl, C 1 -C 6 alkyl substituted with R 17 , C 1 -C 6 haloalkyl, phenyl, phenyl substituted with a R 11 's or the like, R 2 is a hydrogen atom, C 1 -C 6 alkyl, phenyl or phenyl optionally substituted with e R 21 's or the like, R 3 is a hydrogen atom or the like, X is a single bond or —(CR 6 , R 7 ) n —, each of R 4 and R 5 is independently C 1 -C 6 alkyl or the like, R 6 and R 7 are hydrogen atoms or C 1 -C 6 alkyl, R 8 is phenyl, phenyl optionally substituted with k R 81 's or the like, a tautomer of the compound or a pharmaceutically acceptable salt or solvate thereof, as an active ingredient.

  提供了用于骨髓瘤的新型治疗药物。一种用于多发性骨髓瘤的治疗剂，包含由式（1）表示的吡唑烷化合物：其中R1是C1-C6烷基，C1-C6烷基取代为R17，C1-C6卤代烷基，苯基，苯基取代为R11或类似物，R2是氢原子，C1-C6烷基，苯基或可选地取代为e个R21或类似物，R3是氢原子或类似物，X是单键或—（CR6，R7)n—，R4和R5分别独立地是C1-C6烷基或类似物，R6和R7是氢原子或C1-C6烷基，R8是苯基，苯基可选地取代为k个R81或类似物，所述化合物的互变异构体或其药用上可接受的盐或溶剂，作为活性成分。
• Pyrazole compounds having therapeutic effect on multiple myeloma
  申请人：Nishino Taito

  公开号：US08658686B2

  公开（公告）日：2014-02-25

  Novel therapeutic agents for myeloma are provided. A therapeutic agent for multiple myeloma containing a pyrazole compound represented by the formula (1): wherein R1 is C1-C6 alkyl, C1-C6 alkyl substituted with R17, C1-C6 haloalkyl, phenyl, phenyl substituted with a R11's or the like, R2 is a hydrogen atom, C1-C6 alkyl, phenyl or phenyl optionally substituted with e R21's or the like, R3 is a hydrogen atom or the like, X is a single bond or —(CR6R7)n—, each of R4 and R5 is independently C1-C6 alkyl or the like, R6 and R7 are hydrogen atoms or C1-C6 alkyl, R8 is phenyl, phenyl optionally substituted with k R81's or the like, a tautomer of the compound or a pharmaceutically acceptable salt or solvate thereof, as an active ingredient.

  提供了治疗骨髓瘤的新型治疗剂。一种多发性骨髓瘤治疗剂，包含由式（1）表示的吡唑化合物，其中R1是C1-C6烷基，C1-C6烷基取代R17，C1-C6卤代烷基，苯基，苯基取代R11或类似基团，R2是氢原子，C1-C6烷基，苯基或苯基可选择地取代e个R21或类似基团，R3是氢原子或类似基团，X是单键或—（CR6R7)n—，R4和R5中的每一个独立地是C1-C6烷基或类似基团，R6和R7是氢原子或C1-C6烷基，R8是苯基，苯基可选择地取代k个R81或类似基团，该化合物的互变异构体或其药学上可接受的盐或溶剂，作为活性成分。
• METHOD FOR PRODUCING HEMATOPOIETIC STEM CELLS USING PYRAZOLE COMPOUNDS
  申请人：Asai Ayako

  公开号：US20140057353A1

  公开（公告）日：2014-02-27

  An expanding agent for hematopoietic stem cells and/or hematopoietic progenitor cells useful as a therapy for various hematopoietic diseases and useful for improvement in the efficiency of gene transfer into hematopoietic stem cells for gene therapy is provided. A method of producing hematopoietic stem cells and/or hematopoietic progenitor cells, which comprises expanding hematopoietic stem cells by culturing hematopoietic stem cells ex vivo in the presence of a compound represented by the formula following (I), a tautomer or pharmaceutically acceptable salt of the compound or a solvate thereof (wherein R 1 to R 8 are as defined in the description).

  提供一种用于治疗各种造血系统疾病的造血干细胞和/或造血祖细胞扩增剂，并可用于提高基因治疗中基因转移效率的方法。一种生产造血干细胞和/或造血祖细胞的方法，包括在化合物公式（I）所表示的化合物、其互变异构体或药学上可接受的盐或其溶剂的存在下，在体外培养造血干细胞以扩增造血干细胞。其中R1至R8的定义如说明书中所示。
• PYRAZOLE COMPOUND HAVING THERAPEUTIC EFFECT ON MULTIPLE MYELOMA
  申请人：Nissan Chemical Industries, Ltd.

  公开号：EP2647629A1

  公开（公告）日：2013-10-09

  Novel therapeutic agents for myeloma are provided. A therapeutic agent for multiple myeloma containing a pyrazole compound represented by the formula (1): wherein R1 is C1-C6 alkyl, C1-C6 alkyl substituted with R17, C1-C6 haloalkyl, phenyl, phenyl substituted with a R11's or the like, R2 is a hydrogen atom, C1-C6 alkyl, phenyl or phenyl optionally substituted with e R21's or the like, R3 is a hydrogen atom or the like, X is a single bond or -(CR6 R7)n -, each of R4 and R5 is independently C1-C6 alkyl or the like, R6 and R7 are hydrogen atoms or C1-C6 alkyl, R8 is phenyl, phenyl optionally substituted with k R81's or the like, a tautomer of the compound or a pharmaceutically acceptable salt or solvate thereof, as an active ingredient.

  提供了治疗骨髓瘤的新型治疗剂。 一种治疗多发性骨髓瘤的药物含有由式（1）代表的吡唑化合物： 其中 R1 是 C1-C6 烷基、被 R17 取代的 C1-C6 烷基、C1-C6 卤代烷基、苯基、被一个 R11 取代的苯基或类似物，R2 是氢原子、C1-C6 烷基、苯基或任选被 e 个 R21 取代的苯基或类似物，R3 是氢原子或类似物，X 是单键或-(CR6 R7)n -、R4和R5各自独立地为C1-C6烷基或类似物，R6和R7为氢原子或C1-C6烷基，R8为苯基、任选被k个R81取代的苯基或类似物，作为活性成分的化合物的同分异构体或其药学上可接受的盐或溶液。
• METHOD FOR PRODUCING HEMATOPOIETIC STEM CELLS USING PYRAZOLE COMPOUND
  申请人：Nissan Chemical Industries, Ltd.

  公开号：EP2647697B1

  公开（公告）日：2016-08-24