Methyl-5-amino-4-hexanol-1 | 1606-35-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Methyl-5-amino-4-hexanol-1
• 英文别名: 4-Amino-5-methyl-hexan-1-ol；4-Amino-5-methylhexan-1-ol
• CAS: 1606-35-5
• 化学式: C₇H₁₇NO
• mdl: MFCD19206445
• 分子量: 131.218
• InChiKey: HAXFIELNJPNSBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Methyl-5-amino-4-hexanol-1 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 生成 2-异丙基吡咯烷
  参考文献：
  名称：

  A³-Coupling Reaction as a Strategy Towards the Synthesis of Alkaloids

  摘要：

  A number of aldehydes, alkynols and benzylamines were submitted to A(3)-coupling reaction, under CuCl catalysis, giving strategically functionalized hydroxy-propargylamines. The procedure allows the use of alkyl as well as aryl aldehydes. Representative substrates were converted into five- and six-membered cyclic alkaloids by sequential one-pot N-debenzylation/triple bond reduction promoted by Pd, followed by a Mitsunobu-type cyclization.

  DOI：

  10.5935/0103-5053.20140223
• 作为产物：
  描述：

  5-methyl-4-nitro-hex-5-enal 在 钯 氢气 作用下， 生成 Methyl-5-amino-4-hexanol-1
  参考文献：
  名称：

  Bourillot,M.; Descotes,G., Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1965, vol. 260, p. 3107 - 3109

  摘要：

  DOI：

文献信息

• MMP inhibitors
  申请人：——

  公开号：US20030191092A1

  公开（公告）日：2003-10-09

  Novel compounds according to formula I 1 n is 0, 1, 2 or 3; X represents hydroxamic acid (CONHOH), carboxylic acid, phosphonic acid, acetylthiomethyl group or a mercaptomethyl group; R2, R10 and R11 independently represent hydrogen or (C 1-8 )alkyl, (C 2-6 )alkenyl, (C 3-8 )cycloalkyl, aryl(C 0-6 )alkyl or heteroaryl(C 0-6 )alkyl, all of which may optionally be substituted; R3 and R4 independently represent hydrogen, hydroxy or alkoxy; provided that if A, A′, Z and R5 are all bonds, and s and t are both 0 (zero), then R6 is different from hydrogen, and that at least one of R3, R4, R10 and R11 is different from hydrogen; or a salt, hydrate or solvate thereof; pharmaceutical compositions comprising said compound; therapeutical methods comprising administering said compounds; and the use of said compounds in the manufacture of medicaments.

  符合式 I 的新型化合物 1 n 为 0、1、2 或 3； X 代表羟肟酸 (CONHOH)、羧酸、膦酸、乙酰硫甲基或巯甲基； R2、R10 和 R11 各自代表氢或 (C 1-8 烷基、(C 2-6 )烯基、(C 3-8 环烷基、芳基（C 0-6 烷基或杂芳基（C 0-6 R3和R4独立地代表氢、羟基或烷氧基；但如果A、A′、Z和R5均为键，且s和t均为0（零），则R6不同于氢，且R3、R4、R10和R11中至少有一个不同于氢； 或其盐、水合物或溶液； 包含所述化合物的药物组合物； 包含施用所述化合物的治疗方法； 以及 使用所述化合物制造药物。
• Bourillot,M.; Descotes,G., Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1965, vol. 260, p. 3107 - 3109
  作者：Bourillot,M.、Descotes,G.

  DOI：——

  日期：——
• MMP INHIBITORS
  申请人：LEO PHARMA A/S

  公开号：EP1470138B1

  公开（公告）日：2006-01-18
• Isoxazole Carboxamide Compounds
  申请人：EPIZYME, INC.

  公开号：US20170190676A1

  公开（公告）日：2017-07-06

  The present disclosure provides substituted isoxazole carboxamide compounds having Formula (I) and the pharmaceutically acceptable salts and solvates thereof, wherein R 1 , R 2 , A, X, and Z are defined as set forth in the specification. The present disclosure is also directed to the use of compounds of Formula I to treat a disorder responsive to the blockade of SMYD proteins such as SMYD3 or SMYD2. Compounds of the present disclosure are especially useful for treating cancer.
• SMYD Inhibitors
  申请人：EPIZYME, INC.

  公开号：US20170355695A1

  公开（公告）日：2017-12-14

  The present disclosure provides carboxamides and sulfonamides having Formula (I): and the pharmaceutically acceptable salts and solvates thereof, wherein A, Y, B, X, and Z are defined as set forth in the specification. The present disclosure is also directed to the use of compounds of Formula (I) to treat a disorder responsive to the blockade of SMYD proteins such as SMYD3 or SMYD2. Compounds of the present disclosure are especially useful for treating cancer.