<4-(Methoxycarbonyl)benzyl>triphenylphosphonium Bromide | 1253-46-9

• 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: <4-(Methoxycarbonyl)benzyl>triphenylphosphonium Bromide
• 英文别名: triphenylphosphonium bromide；[4-(Methoxycarbonyl)benzyl]triphenylphosphonium Bromide；4-Carbomethoxy-benzyltriphenyl phosphonium bromide；methyl 4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]benzoate
• CAS: 1253-46-9
• 化学式: C₂₇H₂₄BrO₂P
• 分子量: 491.364
• InChiKey: NYEOTUVNIJZJQK-UHFFFAOYSA-N

物化性质

• 熔点：
  258-260°C

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险类别码：
  R36/37/38
• 海关编码：
  2931900090
• 危险类别：
  IRRITANT
• 安全说明：
  S26,S36/37/39
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  <4-(Methoxycarbonyl)benzyl>triphenylphosphonium Bromide 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 1.0h， 生成 4-(4-甲氧基羰基亚苄基)哌啶-1-羧酸叔丁酯
  参考文献：
  名称：

  [EN] HISTONE DEACETYLASE INHIBITORS
  [FR] INHIBITEURS D'HISTONE DÉSACÉTYLASES

  摘要：

  公开号：

  WO2018119362A8
• 作为产物：
  描述：

  对甲基苯甲酸甲酯 在 N-溴代丁二酰亚胺(NBS) 、 过氧化氢苯甲酰 作用下， 以 四氯化碳 、 苯 为溶剂， 反应 3.0h， 生成 <4-(Methoxycarbonyl)benzyl>triphenylphosphonium Bromide
  参考文献：
  名称：

  Listvan, V. N.; Stasyuk, A. P.; Kurgan, L. N., Journal of general chemistry of the USSR, 1987, vol. 57, p. 1366 - 1371

  摘要：

  DOI：

文献信息

• Novel C18 modified retrosteroids as progesterone receptor modulator compounds
  申请人：Messinger Joseph

  公开号：US20070082876A1

  公开（公告）日：2007-04-12

  Retrosteroidal compounds of formula I which act as progesterone receptor modulators, a method for their production, and pharmaceutical preparations containing these compounds. These compounds are preferably used for the treatment of benign gynecological disorders such as endometriosis and uterine fibroids, as well as for female birth control and for hormone replacement therapy (HRT).

  公式I的复古类固醇化合物，其作为孕激素受体调节剂的方法，以及含有这些化合物的药物制剂。这些化合物通常用于治疗良性妇科疾病，如子宫内膜异位症和子宫肌瘤，以及用于女性避孕和激素替代疗法（HRT）。
• (6R,6S)-5,8,10-Trideaza-5,6,7,8-tetrahydrofolate and (6R,6S)-5,8,10-trideaza-5,6,7,8-tetrahydropteroyl-L-ornithine as potential antifolates and antitumor agents. 35
  作者：Andre Rosowsky、Ronald A. Forsch、Richard G. Moran

  DOI：10.1021/jm00123a037

  日期：1989.3

  (6R,6S)-5,8,10-Trideaza-5,6,7,8-tetrahydropteroic acid was synthesized in several steps from 4,4-(ethylenedioxy)-cyclohexanone and [4-(tert-butyloxycarbonyl)benzyl]triphenylphosphonium bromide and was elaborated to (6R,6S)-5,8,10-trideaza-5,6,7,8-tetrahydropteroyl-L-glutamic acid and (6R,6S)-5,8,10-trideaza-5,6,7,8-tetrahydropteroyl-L-ornithin e. Compound 1 was found to be a good substrate for partially purified mouse liver folypolyglutamate synthetase (FPGS), with a Michaelis constant (Km = 15 microM) comparable to that reported for the reduced folate substrate (6S)-5,6,7,8-tetrahydropteroyl-L-glutamic acid and for (6R,6S)-5,10-dideaza-5,6,7,8-tetrahydropteroyl-L-glutamic acid (DDATHF). However, in striking contrast to DDATHF, which is potently cytotoxic, 1 failed to inhibit tumor cell growth in culture at concentrations of up to 100 microM. These results suggested that the NH at position 8 of DDATHF is important for cytotoxic activity but not for polyglutamylation. Just as 1 was a good substrate for FPGS, the ornithine analogue 2 proved to be among the more potent competitive inhibitors of this enzyme discovered to date, with a Ki,s of 10 microM. While the binding affinity of 2 was lower than that reported for 5,6,7,8-tetrahydropteroyl-L-ornithine (H4PteOrn), very substantial FPGS inhibition was observed even though N5,N8, and N10 in H4PteOrn were replaced by carbon. Binding to FPGS thus appears to be tolerant of bioisosteric replacements made simultaneously in ring B and the bridge region. Neither 1 nor 2 was active in preventing cell growth in culture at concentrations of up 100 microM. The N delta-hemiphthaloyl derivative of 2, synthesized as a potential prodrug, was also inactive.

  (6R,6S)-5,8,10-三去氮-5,6,7,8-四氢蝶酰酸通过多步反应由4,4-(环氧乙烷氧基)-环己酮和[4-(叔丁基氧基羰基)苄基]三苯基𬭸溴化物合成，并进一步转化为(6R,6S)-5,8,10-三去氮-5,6,7,8-四氢蝶酰-L-谷氨酸和(6R,6S)-5,8,10-三去氮-5,6,7,8-四氢蝶酰-L-精氨酸。化合物1被发现是部分纯化的鼠肝叶酸多谷氨酸合成酶（FPGS）的良好底物，其米氏常数（Km = 15 μM）与报道的还原型叶酸底物（6S）-5,6,7,8-四氢蝶酰-L-谷氨酸以及(6R,6S)-5,10-二去氮-5,6,7,8-四氢蝶酰-L-谷氨酸（DDATHF）的值相当。然而，与具有强细胞毒性的DDATHF形成鲜明对比的是，化合物1在高达100 μM的浓度下未能抑制肿瘤细胞的生长。这些结果表明，DDATHF中位于8号位的NH对于细胞毒性活性至关重要，但并非多谷氨酸化的必要条件。与1作为FPGS的良好底物类似，精氨酸类似物2证明是迄今为止发现的对该酶的较强竞争性抑制剂之一，其Ki值为10 μM。尽管2与5,6,7,8-四氢蝶酰-L-精氨酸（H4PteOrn）相比结合亲和力较低，但在N5、N8和N10位被碳取代的情况下，仍观察到显著的FPGS抑制作用。这表明，FPGS对环B和桥区的生物等价替代表现出一定的耐受性。化合物1和2在高达100 μM的浓度下均未显示出抑制细胞生长的活性。作为潜在前药的化合物2的Nδ半邻苯二甲酰衍生物也未表现出活性。
• SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS RXR AGONISTS
  申请人：CONNEXIOS LIFE SCIENCES PVT. LTD.

  公开号：US20160333004A1

  公开（公告）日：2016-11-17

  The present invention relates to certain substituted bicyclic compounds that are agonists of RXR and which are therefore useful in the treatment of certain disorders that can be prevented or treated by activation of this receptor. In addition the invention relates to the compounds, methods for their preparation, pharmaceutical compositions containing the compounds and the uses of these compounds in the treatment of certain disorders.

  本发明涉及某些替代的双环化合物，它们是RXR的激动剂，因此在预防或治疗可以通过激活该受体来预防或治疗的某些疾病的治疗中有用。此外，本发明涉及这些化合物、其制备方法、含有这些化合物的药物组合物以及这些化合物在治疗某些疾病中的用途。
• Sulfonamide and carboxamide derivatives and drugs containing the same as the active ingredient
  申请人：——

  公开号：US20030060460A1

  公开（公告）日：2003-03-27

  The sulfonamide or carboamide derivatives of the formula (I) and a pharmaceutical composition which comprise them as an active ingredient: 1 (wherein A ring, B ring is carbocyclic ring, heterocyclic ring; Z 1 is —COR 1 , —CH═CH—COR 1 etc.; Z 2 is H, alkyl etc.; Z 3 is single bond, alkylene; Z 4 is SO 2 , CO; Z 5 is alkyl, phenyl, heterocyclic ring etc.; R 2 is CONR 8 , O, S, NZ 6 , Z 7 -alkylene, alkylene etc.; R 3 is H, alkyl, halogen, CF 3 etc.; R 4 is H, (substituted) alkyl etc.; n, t is 1-4). The compounds of the formula (I) can bind to receptors of PGE 2 and show antagonistic activity against the action thereof or agonistic activity. Therefore, they are considered to be useful as medicine for inhibition of uterine contraction, analgesics, antidiarrheals, sleep inducers, medicine for increase of vesical capacity or medicine for uterine contraction, cathartic, suppression of gastric acid secretion, antihypertensive or diuretic agents.

  公式（I）的磺酰胺或羧酰胺衍生物以及包含它们作为活性成分的制药组合物： 1（其中A环，B环为碳环，杂环；Z1为—COR1，—CH═CH—COR1等；Z2为H，烷基等；Z3为单键，烷基；Z4为SO2，CO；Z5为烷基，苯基，杂环等；R2为CONR8，O，S，NZ6，Z7-烷基，烷基等；R3为H，烷基，卤素，CF3等；R4为H，（取代）烷基等；n，t为1-4）。 公式（I）的化合物可以与PGE2受体结合，并显示其作用的拮抗活性或激动活性。因此，它们被认为是用于抑制子宫收缩、镇痛药、止泻药、催眠剂、增加膀胱容量的药物或子宫收缩药物、泻药、抑制胃酸分泌、降压或利尿剂的有用药物。
• PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY
  申请人：SHIONOGI & CO., LTD.

  公开号：EP0848004A1

  公开（公告）日：1998-06-17

  A compound of the formula I: or a pharmaceutically acceptable salt or a hydrate thereof, which has the activity of inhibiting the production of prostaglandin E2 by inhibiting cytosolic phospholipase2.

  一种式 I.化合物或其药学上可接受的盐或水合物，具有通过抑制细胞磷脂酶 2 来抑制前列腺素 E2 生成的活性： 或其药学上可接受的盐或水合物，具有通过抑制细胞膜磷脂酶 2 来抑制前列腺素 E2 生成的活性。