N-isopropyl-4-phenylbutan-1-amine | 179742-05-3

• 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: N-isopropyl-4-phenylbutan-1-amine
• 英文别名: isopropyl 4-phenylbutyl amine；Isopropyl-(4-phenyl-butyl)-amine；4-phenyl-N-propan-2-ylbutan-1-amine
• CAS: 179742-05-3
• 化学式: C₁₃H₂₁N
• 分子量: 191.316
• InChiKey: WZMJCKVFIIUNOJ-UHFFFAOYSA-N

物化性质

• 沸点：
  283.6±19.0 °C(Predicted)
• 密度：
  0.894±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-isopropyl-4-phenylbutan-1-amine 在 sodium hydroxide 、 TEA 作用下， 以 甲醇 、 甲苯 为溶剂， 生成 (2S)-3-phenyl-2-[[4-phenylbutyl(propan-2-yl)carbamoyl]amino]propanoic acid
  参考文献：
  名称：

  A novel series of urea-based peptidomimetic calpain inhibitors

  摘要：

  A series of peptide aldehyde derivatives in which the P-2 chiral carbon has been replaced with nitrogen were synthesized as urea-based peptidomimetic inhibitors of mu-calpain. The compounds mirrored the general SAR of peptidyl aldehyde calpain inhibitors but displayed greater selectivity for mu-calpain over cathepsin B. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.068
• 作为产物：
  描述：

  4-isopropylamino-1-phenylbutanol 在 sodium hydroxide 、 氯化亚砜 、 4,4'-二叔丁基苯并 、 水 、 lithium 作用下， 以 氯仿 为溶剂， 反应 4.0h， 生成 N-isopropyl-4-phenylbutan-1-amine
  参考文献：
  名称：

  通过还原五元和六元杂环的含氮远程官能化有机锂化合物

  摘要：

  不同的五元或六元含氮杂环如N-异丙基-2-苯基吡咯烷（1），N-苯基-3-吡咯啉（6），N-苯基异吲哚啉（10），N-苯基四氢异喹啉（13）的反应）和ñ -methyltetrahydroisoquinoline（19）与过量的锂粉末和DTBB（4.5摩尔％）的催化量，接着用亲电[H 2 O，d 2 O，加入MeI，CH 2 CHCH 2 BR，镨我CHO，卜吨CHO，苯甲醛中，Me2 CO，镨Ñ来，PhCOMe，（CH 2）4 CO，（CH 2）5 CO，CO 2 ]和最终水解给出了一个宽的一系列官能化的胺的3,8，9，12和19，在关键步骤该方法是原料的还原性开孔，得到双阴离子远程官能化的有机锂化合物。

  DOI：

  10.1016/0040-4020(96)00397-3

文献信息

• Thioimidazoline based compounds reverse glucocorticoid resistance in human acute lymphoblastic leukemia xenografts
  作者：Cara E. Toscan、Marwa Rahimi、Mohan Bhadbhade、Russell Pickford、Shelli R. McAlpine、Richard B. Lock

  DOI：10.1039/c5ob00779h

  日期：——

  Glucocorticoids form a critical component of chemotherapy regimens for pediatric acute lymphoblastic leukemia and initial poor response to glucocorticoid therapy is predictive of inferior outcome.

  糖皮质激素是小儿急性淋巴细胞白血病化疗方案的重要组成部分，对糖皮质激素治疗的初次反应不佳预示着较差的预后。
• Synthesis of Medium-Ring-Sized Benzolactams by Using Strong Electrophiles and Quantitative Evaluation of Ring-Size Dependency of the Cyclization Reaction Rate
  作者：Hiroaki Kurouchi、Tomohiko Ohwada

  DOI：10.1021/acs.joc.9b02843

  日期：2020.1.17

  dilution. These reactions were utilized to quantitatively examine the extent of retardation of medium-sized ring formation, compared to five- or six-membered ring formation. The order of reaction rates of formation of cyclic benzolactams is six- > five- > seven- > eight- > nine-membered ring at 25 °C. The present reaction provides a route to eight- and nine-membered benzolactams.

  通过氨基甲酰基阳离子（R1R2N +═C═O）的亲电芳族取代反应，无需稀释即可良好地获得高收率的苯甲酰胺。与五元或六元环形成相比，这些反应用于定量检测中型环形成的延迟程度。在25°C时，形成环苯并内酰胺的反应速率的顺序为六->五->七->八->九元环。本反应提供了八元和九元苯并内酰胺的途径。
• THYROID RECEPTOR LIGANDS
  申请人：Ryono Denis E.

  公开号：US20100298276A1

  公开（公告）日：2010-11-25

  Thyroid receptor ligands are provided which have the general formula I wherein: R 1 is R 2 and R 3 are the same or different and are hydrogen, halogen, alkyl of 1 to 4 carbons or cycloalkyl of 3 to 5 carbons, provided that at least one of R 2 and R 3 is other than hydrogen; R 4 is R 5 and R 6 are the same or different and are selected from hydrogen, aryl, heteroaryl, alkyl, cycloalkyl, aralkyl or heteroaralkyl. R 7 is aryl, heteroaryl, alkyl, aralkyl, or heteroaralkyl; R 8 is aryl, heteroaryl, or cycloalkyl; R 9 is R 7 or hydrogen; R 10 is hydrogen, halogen, cyano or alkyl; R 11 and R 12 are each independently selected from the group consisting of hydrogen, halogen, alkoxy, hydroxy (—OH) cyano, and alkyl; R 13 is carboxylic acid (COOH) or esters thereof, phosphonic and phosphinic acid or esters thereof, sulfonic acid, tetrazole, hydroxamic acid, thiazolidinedione, acylsulfonamide, or other carboxylic acid surrogates known in the art; R 14 and R 15 may be the same or different and are selected from hydrogen and alkyl, or R 14 and R 15 may be joined together forming a chain of 2 to 5 methylene groups [—(CH2)m-, m=2, 3, 4 or 5], thus forming 3- to 6-membered cycloalkyl rings; R 16 is hydrogen or alkyl of 1 to 4 carbons; R 17 and R 18 are the same or different and selected from hydrogen, halogen and alkyl; n is 0 or an integer from 1 to 4; X is oxygen (—O—), sulfur (—S—), sulfonyl (—SO 2 —), sulfenyl (—SO—) selenium (—Se—), carbonyl (—CO—), amino (—NH—) or methylene (—CH2-); wherein the substituents are as described herein. In addition, a method is provided for preventing, inhibiting or treating diseases or disorders associated with metabolism dysfunction or which are dependent upon the expression of a T 3 regulated gene, wherein a compound as described above is administered in a therapeutically effective amount.

  提供了甲状腺受体配体，其具有一般公式I，其中：R1为R2和R3，R2和R3相同或不同，为氢、卤素、1至4个碳原子的烷基或3至5个碳原子的环烷基，但至少其中一个为非氢；R4为R5和R6，R5和R6相同或不同，选择自氢、芳基、杂环芳基、烷基、环烷基、芳基烷基或杂环芳基；R7为芳基、杂环芳基、烷基、芳基烷基或杂环芳基；R8为芳基、杂环芳基或环烷基；R9为R7或氢；R10为氢、卤素、氰基或烷基；R11和R12各自独立选择自氢、卤素、烷氧基、羟基（—OH）、氰基和烷基；R13为羧酸（COOH）或其酯、膦酸和膦酸酯、磺酸、四唑、羟胺酸、噻唑二酮、酰基磺胺或艺术中已知的其他羧酸替代物；R14和R15可相同或不同，选择自氢和烷基，或R14和R15可结合形成2至5个亚甲基组成的链[—(CH2)m-，m=2、3、4或5]，从而形成3至6成员的环烷基环；R16为氢或1至4个碳原子的烷基；R17和R18相同或不同，选择自氢、卤素和烷基；n为0或1至4的整数；X为氧（—O—）、硫（—S—）、砜基（—SO2—）、砜基（—SO—）、硒（—Se—）、羰基（—CO—）、氨基（—NH—）或亚甲基（— -）；其中取代基如上述所述。此外，提供了一种方法，用于预防、抑制或治疗与代谢功能障碍或依赖于T3调节基因表达的疾病或障碍，其中上述化合物以治疗有效剂量给予。
• NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20170305924A1

  公开（公告）日：2017-10-26

  The present invention relates to novel nargenicin related compounds which can inhibit DnaE and have antibacterial, particularly antimycobacterial activity against Mycobacterium tuberculosis. The present invention also relates to method for inhibiting growth of mycobacterial cells as well as a method of treating mycobacterial infections by Mycobacterium tuberculosis by administering an antimycobacterially effective amount of nargenicin or a nargenicin-related compound and/or their pharmaceutically acceptable salts.
• US7250413B2
  申请人：——

  公开号：US7250413B2

  公开（公告）日：2007-07-31