(R,S)-[1-(4-bromophenyl)-4-(3-pyridinyl)butyl]carbamic acid 1,1-dimethylethyl ester

• 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: (R,S)-[1-(4-bromophenyl)-4-(3-pyridinyl)butyl]carbamic acid 1,1-dimethylethyl ester
• 英文别名: [1-(4-bromophenyl)-4-(3-pyridinyl)butyl]carbamic acid 1,1-dimethylethyl ester；tert-butyl N-[1-(4-bromophenyl)-4-pyridin-3-ylbutyl]carbamate
• 化学式: C₂₀H₂₅BrN₂O₂
• 分子量: 405.335
• InChiKey: NTKRAQMTZGWFAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  二苯基膦叠氮化物 以 叔丁醇 为溶剂， 生成 (R,S)-[1-(4-bromophenyl)-4-(3-pyridinyl)butyl]carbamic acid 1,1-dimethylethyl ester 、 三乙胺
  参考文献：
  名称：

  Substituted n-[(pyridyl)alkyl]aryl-carboxamide

  摘要：

  该发明涉及以下式的化合物##STR1##其中*B为##STR2##Y为O或S，*A为*--(CH.sub.2).sub.n --(X).sub.m --(CH.sub.2).sub.r --，n或r独立地为0到3的整数，m为0到1的整数，但当m为1时，n必须至少为1，X为O或S，R.sub.1和R.sub.4独立地为氢、较低的烷基、羟基或较低的烷氧基，但当*B不是##STR3##时，R.sub.1和R.sub.4中至少一个，以及R.sub.6和R.sub.7中的一个必须为氢，R.sub.2和R.sub.3独立地为氢、较低的烷基、环烷基、卤素、硝基、较低的烷氧基、较低的烯基、较低的炔基或芳基，R.sub.5和R.sub.6独立地为氢或较低的烷基，R.sub.7为氢、较低的烷基、环烷基或芳基，Het为含有一或两个异原子（从氮、氧和硫中选择）的单环5-或6-成员杂芳基或含有一个或两个异原子的双环杂芳基，该基团可以被较低的烷基、卤素或芳基取代，星号表示连接点，当R.sub.6和R.sub.7不同时，它们的对映异构体和外消旋混合物，以及其药学上可接受的酸盐。式I的化合物表现为血小板活化因子（PAF）拮抗剂的活性，因此，它们可用作预防和治疗血管疾病、肺部疾病、皮肤病、移植排斥、免疫紊乱和炎症症状的药物。

  公开号：

  US04916145A1

文献信息

• Substituted n-[(pyridyl)alkyl]aryl-carboxamide
  申请人：Hoffmann-La Roche Inc.

  公开号：US04916145A1

  公开（公告）日：1990-04-10

  The invention relates to compounds of the formula ##STR1## wherein *B is ##STR2## Y is O or S, *A is *--(CH.sub.2).sub.n --(X).sub.m --(CH.sub.2).sub.r --, n or r, independently, are integers from 0 to 3, m is an integer from 0 to 1, provided that when m is 1, then n must be at least 1, X is O or S, R.sub.1 and R.sub.4, independently, are hydrogen, lower alkyl, hydroxy or lower alkoxy, provided that when *B is other than ##STR3## at least one of R.sub.1 and R.sub.4, and one of R.sub.6 and R.sub.7 must be hydrogen, R.sub.2 and R.sub.3 are independently hydrogen, lower alkyl, cycloalkyl, halogen, nitro, lower alkoxy, lower alkenyl, lower alkynyl or aryl, R.sub.5 and R.sub.6, independently are hydrogen or lower alkyl, R.sub.7 is hydrogen, lower alkyl, cycloalkyl or aryl, Het is a monocyclic 5- or 6-membered hetero aromatic or a bicyclic heteroaromatic radical containing one or two hetero atoms selected from nitrogen oxygen and sulfur, which radical may be substituted by lower alkyl, halogen or aryl, and the asterisk denotes the point of attachment, and when R.sub.6 and R.sub.7 are different, their enantiomers and racemic mixtures thereof, and pharmaceutical acceptable acid addition salts thereof. The compounds of formula I exhibit activity as Platelet Activating Factor (PAF) antagonists and are, therefore, useful as agents for the prevention and treatment of vascular diseases, pulmonary diseases, dermatological disorders, transplant rejection, immunological disorders and inflammatory conditions.

  该发明涉及以下式的化合物##STR1##其中*B为##STR2##Y为O或S，*A为*--(CH.sub.2).sub.n --(X).sub.m --(CH.sub.2).sub.r --，n或r独立地为0到3的整数，m为0到1的整数，但当m为1时，n必须至少为1，X为O或S，R.sub.1和R.sub.4独立地为氢、较低的烷基、羟基或较低的烷氧基，但当*B不是##STR3##时，R.sub.1和R.sub.4中至少一个，以及R.sub.6和R.sub.7中的一个必须为氢，R.sub.2和R.sub.3独立地为氢、较低的烷基、环烷基、卤素、硝基、较低的烷氧基、较低的烯基、较低的炔基或芳基，R.sub.5和R.sub.6独立地为氢或较低的烷基，R.sub.7为氢、较低的烷基、环烷基或芳基，Het为含有一或两个异原子（从氮、氧和硫中选择）的单环5-或6-成员杂芳基或含有一个或两个异原子的双环杂芳基，该基团可以被较低的烷基、卤素或芳基取代，星号表示连接点，当R.sub.6和R.sub.7不同时，它们的对映异构体和外消旋混合物，以及其药学上可接受的酸盐。式I的化合物表现为血小板活化因子（PAF）拮抗剂的活性，因此，它们可用作预防和治疗血管疾病、肺部疾病、皮肤病、移植排斥、免疫紊乱和炎症症状的药物。
• Cyclopropylpropenamides
  申请人：Hoffmann-La Roche Inc.

  公开号：US04786646A1

  公开（公告）日：1988-11-22

  The invention relates to compounds of the formula ##STR1## Y is O or S, *A is paraphenylene or *--(CH.sub.2).sub.n --(X).sub.m --(CH.sub.2).sub.r --, X is O, S or --CH.dbd.CH--, n or r, independently, are integers from 0 to 3, s is an integer from 0 to 1, m is an integer from 0 to 1, provided that when m is 1, n+s must be at least 2, R.sub.1 and R.sub.2, independently, are hydrogen, lower alkyl, cycloalkyl, lower alkenyl, Het or aryl, *E is ##STR2## or --(CH.sub.2).sub.k -- wherein k is an integer from 0 to 4, R.sub.3, R.sub.4 and R.sub.8 are independently hydrogen or lower alkyl, R.sub.5 and R.sub.6, independently are hydrogen or lower alkyl, R.sub.7 is hydrogen, lower alkyl, cycloalkyl, Het-lower alkyl or aryl, Het is a monocyclic 5- or 6-membered hetero aromatic or a bicyclic heteroaromatic radical containing one or two hetero atoms selected from nitrogen, oxygen and sulfur, which radical may be substituted by lower alkyl, halogen or aryl, and the asterisk denotes the point of attachment, and their enantiomers, diastereomers and racemic mixtures thereof, as well as when *E is ##STR3## their geometric isomers, and pharmaceutically acceptable acid addition salts thereof. The compounds of formula I exhibit activity as platelet activating factor (PAF) antagonists and are, therefore, useful in disease states characterized by excess platelet activating factor or for the prevention and treatment of cardiovascular diseases, pulmonary diseases, immunological disorders, inflammatory diseases, dermatological disorders, shock or transplant rejection.

  该发明涉及以下式的化合物：##STR1## 其中Y为O或S，*A为对苯基或*--(CH.sub.2).sub.n --(X).sub.m --(CH.sub.2).sub.r --，X为O、S或--CH.dbd.CH--，n或r独立地为0到3的整数，s为0到1的整数，m为0到1的整数，但当m为1时，n+s必须至少为2，R.sub.1和R.sub.2独立地为氢、低烷基、环烷基、低烯基、Het或芳基，*E为##STR2## 或--(CH.sub.2).sub.k --，其中k为0到4的整数，R.sub.3、R.sub.4和R.sub.8独立地为氢或低烷基，R.sub.5和R.sub.6独立地为氢或低烷基，R.sub.7为氢、低烷基、环烷基、Het-低烷基或芳基，Het为含有一或两个来自氮、氧和硫的杂原子的单环5-或6成员杂芳基或含有一个或两个来自氮、氧和硫的杂原子的双环杂芳基，该基团可被低烷基、卤素或芳基取代，星号表示连接点，以及它们的对映异构体、非对映异构体和其拉克米混合物，以及当*E为##STR3## 时它们的几何异构体，以及其药学上可接受的酸盐。式I的化合物表现为血小板活化因子（PAF）拮抗剂的活性，因此，在具有过量血小板活化因子的疾病状态或用于预防和治疗心血管疾病、肺部疾病、免疫性疾病、炎症性疾病、皮肤病、休克或移植排斥时是有用的。
• Pentadieneamides
  申请人：Hoffmann-La Roche Inc.

  公开号：US04788206A1

  公开（公告）日：1988-11-29

  Compounds of the formula ##STR1## Y is O ir S, *A is paraphenylene or *----(CH.sub.2)n----(X).sub.m --(CH.sub.2).sub.r ----, X is O, S or --CH.dbd.CH--, n or r, independently, are integers from 0 to 3, s is an integer from 0 to 1, m is an integer from 0 to 1, provided that when m is 1, n+s must be at least 2, R.sub.1 and R.sub.2, independently, are hydrogen, lower alkyl, cycloalkyl, lower alkenyl, Het, aryl, R.sub.3, R.sub.4 and R.sub.8, independently, are hydrogen, lower alkyl, aryl, R.sub.5 and R.sub.6, independently, are hydrogen or lower alkyl, R.sub.7 is hydrogen, lower alkyl, cycloalkyl, Het-lower alkyl or aryl, Het is a monocyclic 5- or 6-membered hetero aromatic or a bicyclic heteroaromatic radical containing one or two hetero atoms selected from nitrogen, oxygen and sulfur, which radical may be substituted by lower alkyl, halogen or aryl, and the asterisk denotes the point of attachment, and when R.sub.6 and R.sub.7 are different, their enantiomers and racemic mixtures thereof, when R.sub.1 and R.sub.2 are different, their geometric isomers, and pharmaceutically acceptable acid addition salts thereof, are described. The compounds of formula I exhibit activity as platelet activating factor (PAF) antagonists and are, therefore, useful in disease states characerized by excess platelet activating factor or for the prevention and treatment of cardiovascular disease, pulmonary diseases, immunological disorders, inflammatory diseases, dermatological disorders, shock or transplant rejection.

  公式为##STR1##的化合物。其中Y为O或S，*A为对苯基或*----(CH.sub.2)n----(X).sub.m --(CH.sub.2).sub.r ----，X为O、S或--CH.dbd.CH--，n或r独立地为0到3的整数，s为0到1的整数，m为0到1的整数，但当m为1时，n+s必须至少为2，R.sub.1和R.sub.2独立地为氢、低烷基、环烷基、低烯基、Het、芳基，R.sub.3、R.sub.4和R.sub.8独立地为氢、低烷基、芳基，R.sub.5和R.sub.6独立地为氢或低烷基，R.sub.7为氢、低烷基、环烷基、Het-低烷基或芳基，Het为含有一或两个从氮、氧和硫中选择的杂原子的单环5-或6-成员杂芳基或含有一个或两个杂原子的双环杂芳基，该基团可以被低烷基、卤素或芳基取代，星号表示连接点，当R.sub.6和R.sub.7不同时，它们的对映异构体和消旋混合物，当R.sub.1和R.sub.2不同时，它们的几何异构体以及其药学上可接受的酸盐被描述。公式I的化合物表现为血小板活化因子（PAF）拮抗剂的活性，因此，在由于过量血小板活化因子而表现出的疾病状态中或用于预防和治疗心血管疾病、肺部疾病、免疫性疾病、炎症性疾病、皮肤病、休克或移植排斥时，这些化合物是有用的。
• US4786646A
  申请人：——

  公开号：US4786646A

  公开（公告）日：1988-11-22
• US4788206A
  申请人：——

  公开号：US4788206A

  公开（公告）日：1988-11-29