(2-Methyl-4-propan-2-ylphenyl)methanamine

• 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: (2-Methyl-4-propan-2-ylphenyl)methanamine
• 英文别名: (2-methyl-4-propan-2-ylphenyl)methanamine
• 化学式: C₁₁H₁₇N
• 分子量: 163.26
• InChiKey: HRMMMUMNIDDATN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

文献信息

• Factor IXa Inhibitors
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US20150322056A1

  公开（公告）日：2015-11-12

  The present invention provides a compound of Formula (I) wherein R 1 is H or C 1-6 alkyl, R 2 , is H or C 1-6 alkyl or CH 2 OH, R 3 is H or C 1-6 alkyl, and R 4 is H or C 1-6 alkyl, provided that when R 1 , R 2 , and R 3 are H, R 4 is C 1-6 alkyl, and when R 1 , R 2 , and R 4 are H, then R 3 is C 1-6 alkyl, and when R 1 , R 3 , and R 4 are H, R 2 is C 1-6 alkyl or —CH 2 OH, and when R 2 , R 3 , and R 4 are H, then R 1 is C 1-6 alkyl; A is 1) a 9-10 membered bicyclic heterocycle having 1-3 heteroatoms independently selected from N, S and O, which 9-10 membered bicyclic heterocycle is unsubstituted or substituted with R 5 and unsubstituted or substituted with R 6 and unsubstituted or substituted with NH 2 , or 2) a 6-9 membered monocyclic or bicyclic carbocyclic ring system unsubstituted or substituted with R 5 , unsubstituted or substituted with R 6 , and unsubstituted or substituted with —CH 2 NH 2 ; and B is 1 ) a 5- or 6-membered monocyclic heterocycle having 1 or 2 heteroatoms independently selected from N, S or O, which is unsubstituted or substituted on a carbon or nitrogen atom with R 7 , unsubstituted or substituted on a carbon or nitrogen atom with R 8 , and unsubstituted or substituted on a carbon or nitrogen atom with R 9 , or 2 ) an 8- or 9-membered fused bicyclic heterocycle having 1, 2 or 3 nitrogen atoms which is unsubstituted or substituted on a carbon or nitrogen atom with R 7 , and unsubstituted or substituted on a carbon or nitrogen atom with R 8 ; and pharmaceutical compositions comprising one or more said compounds, and methods for using said compounds for treating or preventing thromboses.

  本发明提供了一种化合物，其化学式为（I），其中R1为H或C1-6烷基，R2为H或C1-6烷基或CH2OH，R3为H或C1-6烷基，R4为H或C1-6烷基，但当R1，R2和R3为H时，R4为C1-6烷基，当R1，R2和R4为H时，R3为C1-6烷基，当R1，R3和R4为H时，R2为C1-6烷基或-CH2OH，当R2，R3和R4为H时，R1为C1-6烷基；A为1）具有1-3个杂原子（N，S和O）的9-10个成员的双环杂环，该9-10个成员的双环杂环未取代或取代为R5，未取代或取代为R6，未取代或取代为NH2，或2）未取代或取代为R5的6-9个成员的单环或双环碳环系统，未取代或取代为R6，未取代或取代为-CH2NH2；B为1）具有1或2个杂原子（N，S或O）的5或6个成员的单环杂环，未在碳或氮原子上取代或取代为R7，未在碳或氮原子上取代或取代为R8，未在碳或氮原子上取代或取代为R9，或2）具有1,2或3个氮原子的8或9个成员的融合双环杂环，未在碳或氮原子上取代或取代为R7，并未在碳或氮原子上取代或取代为R8；以及包括一种或多种上述化合物的制药组合物，以及使用上述化合物用于治疗或预防血栓形成的方法。
• BENZYLAMINE DERIVATIVES
  申请人：KALVISTA PHARMACEUTICALS LIMITED

  公开号：US20160039752A1

  公开（公告）日：2016-02-11

  The present invention provides compounds of formula (I): compositions comprising such compounds; the use of such compounds in therapy (for example in the treatment or prevention of a disease or condition in which plasma kallikrein activity is implicated); and methods of treating patients with such compounds; wherein R1 to R3, R5 to R9, A, P, V, W, X, Y and Z are as defined herein.

  本发明提供了式(I)的化合物：包括这些化合物的组合物；使用这些化合物进行治疗（例如在涉及血浆卡利肌酶活性的疾病或病症的治疗或预防中）；以及使用这些化合物治疗患者的方法；其中R1至R3，R5至R9，A，P，V，W，X，Y和Z的定义如本文所述。
• Human TLR8-selective agonists
  申请人：UNIVERSITY OF KANSAS

  公开号：US11130736B2

  公开（公告）日：2021-09-28

  The disclosure provides human toll-like receptor modulators of general Formula (II), wherein R1, R2, R3, R4, R5, R6, R7, R8 are defined herein.

  本公开提供通式（II）的人类收费样受体调节剂，其中 R1、R2、R3、R4、R5、R6、R7、R8 在本文中定义。
• LEVUGLANDIN ADDUCTS HISTONE H4 IN A CYCLOOXYGENASE-2-DEPENDENT MANNER, ALTERING ITS INTERACTION WITH DNA
  申请人：VANDERBILT UNIVERSITY

  公开号：US20150265584A1

  公开（公告）日：2015-09-24

  Method of inhibiting formation of levuglandin adducts of histone and DNA in a subject in need thereof by administering a levuglandin adduct formation inhibiting amount of a compound of the following formula: wherein the variables are defined herein.
• Benzylamine Derivatives
  申请人：KALVISTA PHARMACEUTICALS LIMITED

  公开号：US20170253561A1

  公开（公告）日：2017-09-07

  The present invention provides compounds of formula (I): compositions comprising such compounds; the use of such compounds in therapy (for example in the treatment or prevention of a disease or condition in which plasma kallikrein activity is implicated); and methods of treating patients with such compounds; wherein R1 to R3, R5 to R9, A, P, V, W, X, Y and Z are as defined herein.