7-甲氧基-3-苯基-N-丙基-4,5-二氢-3H-1-苯并吖庚英-2-胺盐酸(1:1) | 73870-23-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 7-甲氧基-3-苯基-N-丙基-4,5-二氢-3H-1-苯并吖庚英-2-胺盐酸(1:1)
• 英文名称: Triphenyl(4-picolyl)phosphoniumbromid
• 英文别名: (pyridin-4-ylmethyl)triphenylphosphonium bromide；triphenyl(pyridin-4-yl-methyl)phosphonium bromide；Triphenyl(pyridin-4-ylmethyl)phosphonium bromide；triphenyl(pyridin-4-ylmethyl)phosphanium;bromide
• CAS: 73870-23-2
• 化学式: Br*C₂₄H₂₁NP
• 分子量: 434.315
• InChiKey: CISHDGABGJUZEW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.58
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7-甲氧基-3-苯基-N-丙基-4,5-二氢-3H-1-苯并吖庚英-2-胺盐酸(1:1) 在 sodium hydroxide 作用下， 以 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 1.0h， 生成 1,4-bis(N-benzyl-4-pyridinium)butadiene dibromide
  参考文献：
  名称：

  扩展π共轭的紫罗兰素的合成及其对近红外吸收的光致变色行为

  摘要：

  DOI：

  10.1021/jo990911v
• 作为产物：
  描述：

  4-(溴甲基)吡啶氢溴酸盐 在 potassium carbonate 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 0.5h， 生成 7-甲氧基-3-苯基-N-丙基-4,5-二氢-3H-1-苯并吖庚英-2-胺盐酸(1:1)
  参考文献：
  名称：

  由桦木酸制备的取代二烯 – 合成、细胞毒性、作用机制和药理学参数

  摘要：

  通过将桦木酸氧化为 30-氧代桦木酸，然后进行 Wittig 反应，合成了一组新的取代二烯。在八种癌细胞系和两种非癌成纤维细胞中体外测试了所有化合物的细胞毒性。几乎所有的二烯都比桦木酸更具细胞毒性。化合物4.22、4.30、4.33、4.39的IC 50低于5 μmol / L ；选择4.22和4.39进行作用机制研究。细胞周期分析显示在 5 × IC 50时凋亡细胞数量增加浓度，其中可以预期导致细胞死亡的不可逆变化的激活。既4.22和4.39导致细胞在用DNA / RNA合成的部分抑制的G0 / G1期的累积为1×IC 50，并在5几乎完全抑制×IC 50。有趣的是，化合物4.39 在 5 × IC 50导致细胞在 S 期积累。较高浓度的受试药物可能比较低浓度抑制更多的脱靶。破坏细胞代谢的机制可以诱导细胞在 S 期的积累。化合物4.22和4.39 均在癌细胞中引发选择性凋亡通过内在途径，

  DOI：

  10.1016/j.ejmech.2021.113706

文献信息

• Cyclosporins Modified on the MeBmt Sidechain by Heterocyclic Rings
  申请人：Allergan, Inc.

  公开号：US20160289271A1

  公开（公告）日：2016-10-06

  The present invention relates to novel cyclosporin analogs, processes for preparing them, pharmaceutical compositions containing them, and methods for using these analogs and the compositions containing them for the treatment of medical conditions, including but not limited to ocular conditions such as dry eye.

  本发明涉及新型环孢素类似物，制备它们的方法，含有它们的药物组合物，以及利用这些类似物和含有它们的组合物治疗医疗状况的方法，包括但不限于眼部状况如干眼症。
• [EN] CARBACEPHEM BETA-LACTAM ANTIBIOTICS<br/>[FR] ANTIBIOTIQUES DE TYPE BÉTA-LACTAME À BASE DE CARBACÉPHÈME
  申请人：ACHAOGEN INC

  公开号：WO2010030810A1

  公开（公告）日：2010-03-18

  Carbacephem β-lactam antibiotics having structure (I) are disclosed, including stereoisomers, pharmaceutically acceptable salts, esters and prodrugs thereof, wherein Ar2, X, R1 and R2 are as defined herein. The compounds are useful for the treatment of bacterial infections, in particular those caused by methicillin-resistant Staphylococcus spp.

  揭示了具有结构（I）的碳青霉烯β-内酰胺类抗生素，包括立体异构体、药用盐、酯及其前药，其中Ar2、X、R1和R2如本文所定义。这些化合物对于治疗细菌感染特别有效，尤其是由耐甲氧西林金黄色葡萄球菌引起的感染。
• Phthalazine derivatives for treating inflammatory diseases
  申请人：——

  公开号：US20030013718A1

  公开（公告）日：2003-01-16

  The invention relates to the treatment of an inflammatory disease, especially an inflammatory rheumatoid or rheumatic disease, and/or pain with an inhibitor of the activity of VEGF receptor tyrosine kinase of the formula I, 1 wherein r is 0 to 2, n is 0 to 3 R 1 and R 2 a) are independently in each case a lower alkyl; b) together form a bridge of subformula I*, 2 wherein the bond is achieved via the two terminal C atoms and m is 0 to 4, or c) together form a bridge of subformula I**, 3 wherein one or two of the ring members T 1 , T 2 , T 3 and T 4 are nitrogen, and the others are in each case CH, and the bond is achieved via atoms T 1 and T 4 ; G is —C(═O)—, —CHF—, —CF 2 —, lower alkylene, C 2 -C 6 alkenylene, lower alkylene or C 3 -C 6 alkenylene substituted by acyloxy or hydroxy, —CH 2 —O—, —CH 2 —S—, —CH 2 —NH—, —CH 2 —O—CH 2 —, —CH 2 —S—CH 2 —, —CH 2 —NH—CH 2 —, oxa (—O—), thia (—S—), imino (—NH—), —CH 2 —O—CH 2 —, —CH 2 —S—CH 2 — or —CH 2 —NH—CH 2 —; A, B, D, E and T are independently N or CH subject to the proviso that at least one and not more than three of these radicals are N; Q is lower alkyl, lower alkoxy or halogen; R a and R a ′ are each independently H or lower alkyl; X is imino, oxa, or thia; Y is hydrogen, aryl, heteroaryl, or unsubstituted or substituted cycloalkyl; and Z is mono- or disubstituted amino, halogen, alkyl, substituted alkyl, hydroxy, etherified or esterified hydroxy, nitro, cyano, carboxy, esterified carboxy, alkanoyl, carbamoyl, N-mono- or N,N-disubstituted carbamoyl, amidino, guanidino, mercapto, sulfo, phenylthio, phenyl lower alkylthio, alkylphenylthio, phenylsulfinyl, phenyl-lower alkylsulfinyl, alkylphenylsulfinyl, phenylsulfonyl, phenyl-lower alkylsulfonyl, alkylphenylsulfonyl, or (alternatively or, in a broader aspect of the invention, in addition) selected from the group consisting of ureido, halo-lower alkylthio, halo-lower alkansulfonyl, pyrazolyl, lower-alkyl pyrazolyl and C 2 -C 7 alkenyl; wherein—if more than 1 radical Z (m≧2) is present—the substituents Z are selected independently from each other; and wherein the bonds characterized in subformula I* by a wavy line are either single or double bonds; or an N-oxide of said compound, wherein 1 or more N atoms carry an oxygen atom; or a pharmaceutically acceptable salt thereof; as well as to new phthalazine derivatives; processes for the preparation thereof; the application thereof in a process for the treatment of the human or animal body; the use thereof for the treatment of a disease, especially a disease caused by ocular neovascularisation, such as age-related macula degeneration or diabetic retinopathy, or other diseases that respond to the inhibition of tyrosine kinases, such as a proliferative disease; a method for the treatment of such disease in mammals; and the use of such a compound for the manufacture of a pharmaceutical preparation for the treatment especially of a disease as mentioned above.

  该发明涉及治疗炎症性疾病，特别是炎症性风湿性或风湿性疾病，以及/或疼痛的方法，该方法使用公式I,1中VEGF受体酪氨酸激酶活性抑制剂，其中r为0至2，n为0至3，R1和R2a）各自独立地为较低的烷基；b）共同形成亚式I*，2的桥，其中通过两个末端C原子实现键合，m为0至4；或c）共同形成亚式I**，3的桥，其中环成员T1、T2、T3和T4中的一个或两个是氮，其他各自为CH，通过原子T1和T4实现键合；G为—C(═O)—、—CHF—、—CF2—、较低烷基、C2-C6烯基、被乙酰氧基或羟基取代的较低烷基或C3-C6烯基、—CH2—O—、—CH2—S—、—CH2—NH—、—CH2—O—CH2—、—CH2—S—CH2—、—CH2—NH—CH2—、氧杂环（—O—）、硫杂环（—S—）、亚胺（—NH—）、—CH2—O—CH2—、—CH2—S—CH2—或—CH2—NH—CH2—；A、B、D、E和T各自独立地为N或CH，但至少一个且不超过三个为N；Q为较低烷基、较低烷氧基或卤素；Ra和Ra′各自独立地为H或较低烷基；X为亚胺、氧杂环或硫杂环；Y为氢、芳基、杂环芳基或未取代或取代的环烷基；Z为单取代或双取代的氨基、卤素、烷基、取代烷基、羟基、醚化或酯化的羟基、硝基、氰基、酯化的羧基、烷酰基、氨基甲酰基、N-单取代或N,N-双取代的氨基甲酰基、胍基、胍二氨基基、巯基、磺基、苯硫基、苯较低烷基硫基、烷基苯硫基、苯磺基、苯较低烷基磺基、烷基苯磺基，或（或者，根据该发明的更广泛方面，此外）从尿素基、卤代较低烷硫基、卤代较低烷磺基、吡唑基、较低烷基吡唑基和C2-C7烯基中选择；其中——如果存在多于1个基Z（m≥2），那么取代基Z彼此独立选择；在亚式I*中由波浪线表示的键要么是单键，要么是双键；或者是所述化合物的N-氧化物，其中1个或多个N原子携带氧原子；或其药学上可接受的盐；以及新的邻苯二氮䓬基衍生物；其制备方法；在用于治疗人体或动物体的方法中的应用；用于治疗疾病的用途，特别是由眼部新生血管形成引起的疾病，如老年性黄斑变性或糖尿病性视网膜病变，或对酪氨酸激酶抑制有反应的其他疾病，如增生性疾病；哺乳动物中治疗此类疾病的方法；以及用这种化合物制备药物制剂，特别是用于治疗上述疾病的制剂。
• Synthesis and antitumor activity of selected 7-alkylidene substituted cephems
  作者：G. Veinberg、M. Vorona、I. Shestakova、I. Kanepe、O. Zharkova、R. Mezapuke、I. Turovskis、I. Kalvinsh、E. Lukevics

  DOI：10.1016/s0968-0896(00)00035-3

  日期：2000.5

  Selected 7-alkylidene substituted cephems were synthesized and subjected to antitumor assay. The effect of substituents was examined to establish structure-activity relationships. It was found that the intensive intracellular generation of nitric oxide induced by tert-butyl 7-alkylidene cephalosporanate sulfones could be also regarded as an additional cytotoxic factor taking place both in vitro and

  合成选定的7-亚烷基取代的头孢并进行抗肿瘤测定。检查取代基的作用以建立结构-活性关系。已经发现，由7-亚烷基叔丁基头孢烷磺酸砜叔丁酯诱导的一氧化氮的强烈细胞内生成也可以被认为是在体外和体内实验中发生的另外的细胞毒性因子。
• [EN] PHTHALAZINE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES<br/>[FR] DERIVES DE PHTALAZINE POUR LE TRAITEMENT DES MALADIES INFLAMMATOIRES
  申请人：NOVARTIS AG

  公开号：WO2000059509A1

  公开（公告）日：2000-10-12

  The invention relates to the treatment of an inflammatory disease, and/or pain with an inhibitor of VEGF receptor tyrosine kinase of formula (I), wherein r is 0 to 2, n is 0 to 3, R1 and R2 a) are independently in each case lower alkyl; b) together form a bridge of subformula (I*), wherein the bond is achieved via the two terminal C atoms and m is 0 to 4, or c) together form a bridge of subformula (I**), wherein one or two of the ring members T1, T2, T3 and T4 are nitrogen and the others are in each case CH, and the bond is achieved via atoms T1 and T4; G is -C(=O)-, CHF-, -CF2-, lower alkylene, C2-C6alkenylene, lower alkylene or C3-C6alkenylene substituted by acyloxy or hydroxy, -CH2-O-, -CH2-S-, -CH2-NH-, -CH2-O-CH2-, -CH2-S-CH2-, -CH2-NH-CH2-, oxa (-O-), thia (-S-), imino (-NH-), -CH2-O-CH2-, -CH2-S-CH2- or -CH2-NH-CH2-; A, B, D, E and T are independently N or CH subject to the proviso that at least one and not more than three of these radicals are N; Q is lower alkyl, lower alkoxy or halogen; Ra and Ra' are each independently H or lower alkyl; X is imino, oxa, or thia; Y is hydrogen, aryl, heteroaryl, or unsubstituted or substituted cycloalkyl; and Z is mono- or disubstituted amino, halogen, alkyl, substituted alkyl, hydroxy, etherified or esterified hydroxy, nitro, cyano, carboxy, esterified carboxy, alkanoyl, carbamoyl, N-mono-or N, N-disubstituted carbamoyl, amidino, guanidino, mercapto, sulfo, phenylthio, phenyl lower alkylthio, alkylphenylthio, phenylsulfinyl, phenyl-lower alkylsulfinyl, alkylphenylsulfinyl, phenylsulfonyl, phenyl-lower alkylsulfonyl, alkylphenylsulfonyl, or (alternatively or, in a broader aspect of the invention, in addition) selected from the group consisting of ureido, halo-lower alkylthio, halo-lower alkansulfonyl, pyrazolyl, lower-alkyl pyrazolyl and C2-C7alkenyl; wherein - if more than 1 radical Z (m ≥ 2) is present - the substituents Z are selected independently from each other; and wherein the bonds characterized in subformula (I) by a wavy line are either single or double bonds; or an N-oxide of said compound, wherein 1 or more N atoms carry an oxygen atom; or a pharmaceutically acceptable salt thereof.

  该发明涉及使用VEGF受体酪氨酸激酶抑制剂的治疗方法，用于治疗炎症性疾病和/或疼痛。其中，公式(I)中的r为0至2，n为0至3，R1和R2分别为a)独立的较低烷基；b)共同形成亚公式(I*)的桥，其中通过两个末端C原子实现键合，m为0至4；或c)共同形成亚公式(I**)的桥，其中环成员T1、T2、T3和T4中的一个或两个为氮，其他均为CH，并通过原子T1和T4实现键合；G为-C（=O）-、CHF-、-CF2-、较低烷基、C2-C6烯基、被酰氧或羟基取代的较低烷基或C3-C6烯基、-CH2-O-、-CH2-S-、-CH2-NH-、-CH2-O-CH2-、-CH2-S-CH2-、-CH2-NH-CH2-、氧杂（-O-）、硫杂（-S-）、亚氨基（-NH-）、-CH2-O-CH2-、-CH2-S-CH2-或-CH2-NH-CH2-；A、B、D、E和T分别独立为N或CH，但至少一个且不超过三个基团为N；Q为较低烷基、较低烷氧基或卤素；Ra和Ra'各自独立为H或较低烷基；X为亚氨基、氧杂或硫杂；Y为氢、芳基、杂环芳基或未取代或取代的环烷基；Z为单取代或双取代氨基、卤素、烷基、取代烷基、羟基、醚化或酯化的羟基、硝基、氰基、酰基、酯化的酰基、脂肪酰胺基、N-单取代或N，N-双取代的脂肪酰胺基、氨基亚甲基、胍基、巯基、磺酸基、苯基硫基、较低烷基硫基苯基硫基、烷基苯基硫基、苯基亚砜基、苯基较低烷基亚砜基、烷基苯基亚砜基、苯基磺酰基、苯基较低烷基磺酰基、烷基苯基磺酰基，或者从尿素基、卤代较低烷基硫基、卤代较低烷基磺酰基、吡唑基、较低烷基吡唑基和C2-C7烯基中选择；其中，如果存在多个Z基团（m≥2），则Z取代基独立选择；并且在子公式（I）中由波浪线表示的键可以是单键或双键；或者其N-氧化物，其中1个或多个N原子带有氧原子；或其药学上可接受的盐。