1H-伯啶-2-羧酸 | 146603-28-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类 - 二氮杂萘
• 中文名称: 1H-伯啶-2-羧酸
• 英文名称: perimidine-2-carboxylic acid
• 英文别名: 1H-perimidine-2-carboxylic acid；1H-Perimidin-2-carbonsaeure；1H-perimidine-2-carboxylic acid
• CAS: 146603-28-3
• 化学式: C₁₂H₈N₂O₂
• mdl: MFCD03656259
• 分子量: 212.208
• InChiKey: SSLKCRRRVHOPOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  61.7
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  盐酸 、 1H-伯啶-2-羧酸 生成 呸啶
  参考文献：
  名称：

  Sachs, Justus Liebigs Annalen der Chemie, 1909, vol. 365, p. 162

  摘要：

  DOI：
• 作为产物：
  描述：

  ethyl 1H-perimidine-2-carboxylate 在 盐酸 、 水 作用下， 以 乙醇 为溶剂， 以75%的产率得到1H-伯啶-2-羧酸
  参考文献：
  名称：

  2-Substituted-1H-perimidines：合成、晶体结构和 DFT 计算

  摘要：

  摘要 Perimidines 或1 H - perimidines 代表一类重要的杂环化合物，由二氢嘧啶环周围稠合到萘部分构成。由于在一个或另一个环内氮原子或两者上的两个可能的氢位置，它们表现出 1,3-环互变异构现象，分别导致亚胺或烯胺形式。2-取代的-1 H-perimidine 的亚胺形式可以表现出关于双 CN 键的 2-取代基的顺式或反式取向。在这里，我们报告了四种 2-取代的 perimidine 衍生物的合成：2-羟甲基-perimidine 2、ethyl-1 H-perimidine-2-carboxylate 3、perimidine-2-羧酸 4 和 2-cyanomethyl-perimidine 5。通过质谱、红外光谱、单晶 X 射线衍射 (SCXRD) ( 2 ) 和粉末 X 射线衍射 (PXRD) ( 5 ) 对化合物进行表征，以及 DFT 计算（3、4 和 5）和溶液中的

  DOI：

  10.1016/j.molstruc.2013.03.020

文献信息

• [EN] ANTI-TUMOUR COMPOUNDS<br/>[FR] COMPOSES ANTITUMORAUX
  申请人：UNIV TROBE

  公开号：WO2002030906A1

  公开（公告）日：2002-04-18

  A compound of formula (II) in which positional numbering, where mentioned, refers to the system illustrated above, and one or more W and one or more U are attached to a ring carbon or carbons at any of positions 1-11 or to a ring nitrogen at position 7 if present, and in which: W is C(=Q)NRCHJ(CH2)nR1 where Q is O or S, R is hydrogen or a C¿1-4? alkyl group which is optionally substituted with one or more OH or NH2 groups, J is H or a C1-C6 alkyl group optionally substituted with OH, OMe, NH2, NHMe or NMe2 functions, R?1¿ is C(=NR2)NH2, NHC(=NR3)NH2 or NR4R5, where each of R?2 and R3¿ are independently hydrogen or a C¿1-4? alkyl group which is optionally substituted with one or more OH or NH2 groups, and R?4 and R5¿ are independently hydrogen or a C¿1-4? alkyl group which is optionally substituted with one or more OH or NH2 groups, or R?4 and R5¿ together with the nitrogen atom to which they are attached form an optionally substituted saturated or unsaturated heterocyclic group; and n is an integer from 0 to 5; X, Y, V are independently CH or N; Z is CH¿2?, CH-C1-4 alkyl, CO, O, S, SO, SO2, N-C1-4 alkyl or NH; and U is H, halo, OH, CO2H, NR?6R7¿, nitro, cyano, C¿1-6? alkyl, C1-6 haloalkyl, C1-6 alkoxy, C1-6 haloalkoxy, C1-6 aminoalkyl or C1-6 aminoalkoxy in which R?6 and R7¿ have the same definitions as R?4 and R5¿ above; or a pharmaceutically-acceptable salt, N-oxide, hydrate, solvate, pharmaceutically acceptable derivative, pro-drug, tautomer or isomer thereof, with the proviso that W at position 4 cannot be CONH(CH¿2?)2NMe2, CONH(CH2)2NEt2, CONH(CH2)3NMe2, CONH(CH2)3NEt2, CONH(CH2)2Npiperidyl, or CONH(CH2)2Nmorpholinyl, when X and Y are N, V is CH, U is H and Z is CO. 'Bis' compounds and carboxylic acid precursors are also claimed. The compounds are useful in the treatment of neoplastic conditions such as cancer.

  式（II）的化合物，其中位置编号（如有提及）是指上述系统，其中一个或多个W和一个或多个U附加到任何1-11位置的环碳或碳上，或附加到7号位置的环氮（如存在），其中：W是C（=Q）NRCHJ（CH2）nR1，其中Q为O或S，R为氢或可选地取代一个或多个OH或NH2基团的C¿1-4？烷基，J为H或可选地取代OH，OMe，NH2，NHMe或NMe2功能的C1-C6烷基，R?1¿为C（=NR2）NH2，NHC（=NR3）NH2或NR4R5，其中R?2和R3¿各自独立地为氢或可选地取代一个或多个OH或NH2基团的C¿1-4？烷基，而R?4和R5¿独立地为氢或可选地取代一个或多个OH或NH2基团的C¿1-4？烷基，或者R?4和R5¿与它们附着的氮原子一起形成可选地取代的饱和或不饱和杂环基团；n是0到5的整数；X，Y，V各自独立地为CH或N；Z为CH¿2？，CH-C1-4烷基，CO，O，S，SO，SO2，N-C1-4烷基或NH；U为H，卤素，OH，CO2H，NR?6R7¿，硝基，氰基，C¿1-6？烷基，C1-6卤代烷基，C1-6烷氧基，C1-6卤代烷氧基，C1-6氨基烷基或C1-6氨基烷氧基，其中R?6和R7¿与上述R?4和R5¿的定义相同；或其药学上可接受的盐，N-氧化物，水合物，药学上可接受的衍生物，前药，互变异构体，但在X和Y为N，V为CH，U为H，Z为CO时，位置4的W不能是CONH（CH¿2？）2NMe2，CONH（CH2）2NEt2，CONH（CH2）3NMe2，CONH（CH2）3NEt2，CONH（CH2）2Npiperidyl或CONH（CH2）2Nmorpholinyl。还声明了“双”化合物和羧酸前体。这些化合物在治疗癌症等肿瘤条件方面有用。
• de Aguiar, Chemische Berichte, 1874, vol. 7, p. 131
  作者：de Aguiar

  DOI：——

  日期：——
• Novel therapeutic target for protozoal diseases
  申请人：Rathore Dharmender

  公开号：US20070148185A1

  公开（公告）日：2007-06-28

  A novel Hemozoin Detoxification Protein (HDP) from Plasmodium and related parasites is provided as a target for therapeutic intervention in diseases caused by the parasites. HDP has been shown to play a critical role in adhesion to, or invasion into, host cells by the parasite. Furthermore, HDP catalyzes the neutralization of heme by the parasite, by promoting its polymerization into hemozoin. This invention provides methods and compositions for therapies based on the administration of protein, DNA or cell-based vaccines and/or antibodies based on HDP, or antigenic epitopes of HDP, either alone or in combination with other parasite antigens. Methods for the development and use of compounds that inhibit the catalytic activity of HDP, and diagnostic and laboratory methods utilizing HDP are also provided. HDP is also referred to herein as Fasciclin Related Adhesive Protein (FRAP).
• [EN] A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES<br/>[FR] UNE NOUVELLE CIBLE THÉRAPEUTIQUE POUR LES MALADIES À PROTOZOAIRE
  申请人：VIRGINIA TECH INTELL PROP

  公开号：WO2007047579A2

  公开（公告）日：2007-04-26

  [EN] A novel Hemozoin Detoxification Protein (HDP) from Plasmodium and related parasites is provided as a target for therapeutic intervention in diseases caused by the parasites. HDP has been shown to play a critical role in adhesion to, or invasion into, host cells by the parasite. Furthermore, HDP catalyzes the neutralization of heme by the parasite, by promoting its polymerization into hemozoin. This invention provides methods and compositions for therapies based on the administration of protein, DNA or cell-based vaccines and/or antibodies based on HDP, or antigenic epitopes of HDP, either alone or in combination with other parasite antigens. Methods for the development and use of compounds that inhibit .the catalytic activity of HDP, and diagnostic and laboratory methods utilizing HDP are also provided. HDP is also referred to herein as Fasciclin Related Adhesive Protein (FRAP).
  [FR] L'invention concerne une nouvelle protéine de désintoxication de l'hémozoïne (PDH) de plasmodium et de parasites apparentés, comme cible pour intervention thérapeutique dans des maladies causées par lesdits parasites. La PDH s'est avéré jouer un rôle critique dans l'adhésion à des, ou l'invasion de, cellules hôtes par le parasite. En outre, La PDH catalyse la neutralisation de l'hème par le parasite, en encourageant sa polymérisation en hémozoïne. La présente invention concerne des méthodes et des compositions pour des thérapies basées sur l'administration de vaccins à base de protéine, d'ADN ou de cellules, et/ou d'anticorps basés sur la PDH ou d'épitopes antigènes de la PDH, seuls ou en combinaison avec d'autres antigènes de parasites. L'invention concerne aussi des méthodes pour développer et utiliser des composés qui inhibent l'activité catalytique de la PDH, et des méthodes diagnostiques et de laboratoire utilisant la PDH. On fait également référence ici à la PDH comme protéine adhésive apparentée à la fascicline (FRAP : Fasciclin Related Adhesive Protein).
• Sachs, Justus Liebigs Annalen der Chemie, 1909, vol. 365, p. 162
  作者：Sachs

  DOI：——

  日期：——