pyridine-2-monothiocarboxylic acid | 6749-77-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: pyridine-2-monothiocarboxylic acid
• 英文别名: Pyridin-2-monothiocarbonsaeure；Thiopicolinic acid；pyridine-2-carbothioic S-acid
• CAS: 6749-77-5
• 化学式: C₆H₅NOS
• 分子量: 139.178
• InChiKey: MBVGZSSYNIBAKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  31
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  pyridine-2-monothiocarboxylic acid 、 三氯化铁 以 丙酮 为溶剂， 以74%的产率得到tris-(pyridine-2-carbothioato)-ferrate(III)
  参考文献：
  名称：

  Hildebrand, U.; Lex, J.; Taraz, K., Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1984, vol. 39, # 11, p. 1607 - 1613

  摘要：

  DOI：
• 作为产物：
  描述：

  吡啶-2-羧硫酸胺 在 sodium hydroxide 作用下， 反应 3.0h， 以27%的产率得到pyridine-2-monothiocarboxylic acid
  参考文献：
  名称：

  Huebner, J.; Taraz, K.; Budzikiewicz, H., Phosphorus, Sulfur and Silicon and the Related Elements, 1990, vol. 47, p. 367 - 374

  摘要：

  DOI：

文献信息

• Azolylacylguanidines as beta-secretase inhibitors
  申请人：Cole Cecil Derek

  公开号：US20060183790A1

  公开（公告）日：2006-08-17

  The present invention provides an azolylacylquanidine compound of formula I The present invention also provides methods for the use thereof to inhibit β-secretase (BACE) and treat β-amyloid deposits and neurofibrillary tangles.

  本发明提供了一种化合物，其化学式为I。本发明还提供了利用该化合物抑制β-分泌酶(BACE)、治疗β-淀粉样沉积和神经原纤维缠结的方法。
• Antisecretory heterocyclic amidine compounds
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04252819A1

  公开（公告）日：1981-02-24

  Novel heterocyclic compounds shown by the formula ##STR1## wherein Het represents a 5-membered or 6-membered heterocyclic group which may have substituent(s); Z represents a sulfur atom or oxygen atom; X represents an oxygen atom or the unsubstituted or substituted imino group shown by N--R.sub.1 (wherein R.sub.1 is a hydrogen atom, a lower alkyl group, a cyano group, an unsubstituted or alkyl substituted carbamoyl group, an unsubstituted or lower alkyl substituted thiocarbamoyl group, or a lower alkanoylamino group); Y represents a hydrogen atom, a lower alkyl group which may have substituent(s), a cycloalkyl group of 3-6 carbon atoms, a lower alkenyl group, a lower alkynyl group, an aryl group which may have substituent(s), an aralkyl group which may have substituent(s), a hydroxyl group, a cyano group, a carbamoyl group, an amidino group, an alkanoyl group which may have been substituted by halogen atom(s), an alkanoylamino group, an arylcarbonylamino group, an alkylamino group, an arylamino group, an arylsulfamoyl group, a lower alkoxycarbamoyl group, or an oxamoylamino group; and m and n represent an integer of 1-3; when X is N-R.sub.1, said X and Y may combine with each other to form a 5-membered or 6-membered heterocyclic ring containing 2-3 nitrogen atoms which may have substituent(s), and the pharmaceutically acceptable acid addition salts thereof. The compounds of this invention are useful as gastric acid secretion inhibitors.

  本发明涉及一种新型杂环化合物，其化学式如下：##STR1##其中，Het代表一个5-或6-成员杂环基团，可以具有取代基；Z代表硫原子或氧原子；X代表氧原子或N-R.sub.1所示的未取代或取代亚胺基团（其中R.sub.1为氢原子、较低烷基基团、氰基、未取代或烷基取代的氨基甲酰基团、未取代或较低烷基取代的硫代氨基甲酰基团或较低烷酰胺基团）；Y代表氢原子、可能具有取代基的较低烷基基团、3-6个碳原子的环烷基基团、较低烯基基团、较低炔基基团、可能具有取代基的芳基团、可能具有取代基的芳基烷基团、羟基、氰基、氨基甲酰基团、胺基甲酰基团、可能已被卤素原子取代的酰基基团、酰胺基甲酰基团、芳基甲酰胺基团、烷基胺基团、芳基胺基团、芳基磺酰胺基团、较低烷氧基甲酰基团或氧代氨基甲酰基团；m和n代表1-3的整数；当X为N-R.sub.1时，所述的X和Y可以结合在一起形成一个含有2-3个氮原子的5-或6-成员杂环环，该环可能具有取代基，并且其在药学上可接受的酸盐。本发明的化合物可用作胃酸分泌抑制剂。
• Antisecretory imidazole amidine compounds, composition and method of use
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04379158A1

  公开（公告）日：1983-04-05

  Novel heterocyclic compounds shown by the formula ##STR1## wherein Het represents a 5-membered or 6-membered heterocyclic group which may have substituent(s); Z represents a sulfur atom or oxygen atom; X represents an oxygen atom or the unsubstituted or substituted imino group shown by N--R.sub.1 (wherein R.sub.1 is a hydrogen atom, a lower alkyl group, a cyano group, an unsubstituted or alkyl substituted carbamoyl group, an unsubstituted or lower alkyl substituted thiocarbamoyl group, or a lower alkanoylamino group); Y represents a hydrogen atom, a lower alkyl group which may have substituent(s), a cycloalkyl group of 3-6 carbon atoms, a lower alkenyl group, a lower alkynyl group, an aryl group which may have substituent(s), an aralkyl group which may have substituent(s), a hydroxyl group, a cyano group, a carbamoyl group, an amidino group, an alkanoyl group which may have been substituted by halogen atom(s), an alkanoylamino group, an arylcarbonylamino group, an alkylamino group, an arylamino group, an arylsulfamoyl group, a lower alkoxycarbamoyl group, or an oxamoylamino group; and m and n represent an integer of 1-3; when X is N--R.sub.1, said X and Y may combine with each other to form a 5-membered or 6-membered heterocyclic ring containing 2-3 nitrogen atoms which may have substituent(s), and the pharmacologically acceptable acid addition salts thereof. The compounds of this invention are useful as gastric acid secretion inhibitors.

  本发明涉及一种新颖的杂环化合物，其化学式为##STR1##其中Het代表一个含有取代基的5元或6元杂环基团；Z代表硫原子或氧原子；X代表氧原子或N--R.sub.1所示的未取代或取代亚胺基团（其中R.sub.1代表氢原子、较低烷基基团、氰基、未取代或烷基取代的氨基甲酰基团、未取代或较低烷基取代的硫代氨基甲酰基团或较低烷酰氨基基团）；Y代表氢原子、可能带有取代基的较低烷基基团、3-6碳原子的环烷基基团、较低烯基基团、较低炔基基团、可能带有取代基的芳基、可能带有取代基的芳基烷基基团、羟基、氰基、氨基甲酰基团、酰胺基团、可能已被卤原子取代的酰基基团、酰氨基基团、芳基羰胺基团、烷基氨基基团、芳基氨基基团、芳基磺酰氨基基团、较低烷氧基羰胺基团或氧代氨基基团；m和n代表1-3的整数；当X为N--R.sub.1时，所述的X和Y可以结合在一起形成一个含有2-3个氮原子的5元或6元杂环环，该环可能带有取代基，并且其药理学上可接受的酸盐。本发明的化合物可用作胃酸分泌抑制剂。
• [EN] 17 beta -SUBSTITUTED-4-AZA-5 alpha -ANDROSTAN-3-ONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION
  申请人：FARMITALIA CARLO ERBA S.R.L.

  公开号：WO1991012261A1

  公开（公告）日：1991-08-22

  (EN) The present invention concerns steroidic 5$g(a)-reductase inhibitors having formula (I) wherein R1 is hydrogen, a C1-C6 alkyl group, an aryl-C1-C6alkyl group, or an aroyl group; Y is oxygen or sulphur; W is a group (2) wherein each of R2 and R3 is independently selected from the group consisting of hydrogen, C1-C6 alkyl, C5-C6 cycloalkyl, C6-C9 cycloalkylalkyl and aryl, wherein each of the groups alkyl, cycloalkyl, cycloalkylalkyl and aryl may be unsubstituted or substituted by a substituent -OR4 wherein R4 is hydrogen or C1-C4 alkyl; A is hydrogen, C1-C6 alkyl, C5-C6 cycloalkyl or C6-C9 cycloalkylalkyl wherein each of the groups alkyl, cycloalkyl and cycloalkylalkyl, may be unsubstituted or substituted by a substituent chosen from: a) -OR4 wherein R4 is as defined above, and b) (3) wherein either each of R5 and R6 is independently selected from the group consisting of hydrogen, C1-C6 alkyl, C5-C6 cycloalkyl and aryl, or R5 and R6, taken together with the nitrogen atom to which they are linked, form a pentatomic or hexatomic saturated heteromonocyclic ring, optionally containing at least one additional heteroatom selected from oxygen and nitrogen; and the symbol (----) represents a single or a double bond, and pharmaceutical acceptable salts thereof. In view of their 5$g(a)-reductase inhibiting activity the compounds of the invention can be useful for the treatment of androgen dependent conditions.(FR) La présente invention concerne des inhibiteurs 5$g(a)-réductase stéroïdes de formule (I) dans laquelle R1 est de l'hydrogène, un groupe alkyle C1-C6, un groupe aryle C1-C6alkyle, ou bien un groupe aroyle; Y est de l'oxygène ou du soufre; W est un groupe (2) dans lequel R2 et R3 sont indépendamment sélectionnés parmi le groupe comprenant de l'hydrogène, un alkyle C1-C6, un cycloalkyle C5-C6, un cycloalkylalkyle C6-C9 et un aryle, dans lequel chacun des groupes alkyle, cycloalkyle, cycloalkylalkyle et aryle peut rester inchangé ou être remplacé par un substituant -OR4 dans lequel R4 est de l'hydrogène ou un alkyle C1C4; A est de l'hydrogène, un alkyle C1-C6, un cycloalkyle C5-C6 ou un cycloalkylalkyle C6-C9 dans lequel chacun des groupes alkyle, cycloalkyle et cycloalkylalkyle, peut rester inchangé ou être remplacé par un substituant choisi parmi: a) -OR4 dans lequel R4 est comme défini ci-dessus et b) (3) dans lequel soit, R5 et R6 sont indépendamment sélectionnés parmi le groupe comprenant l'hydrogène, un alkyle C1-C6, un cycloalkyle C5-C6 et un aryle, soit R5 et R6, pris ensemble avec l'atome d'azote auquel ils sont liés, forment un cycle hétéromonocyclique pentatomique ou hexatomique saturé, contenant facultativement au moins un hétéro-atome supplémentaire sélectionné parmi l'oxygène et l'azote; et le symbole (----) représente une liaison unique ou double, et des sels pharmaceutiquement acceptables de ceux-ci. Grâce à leur activité inhibitrice de 5$g(a)-réductase, les composés de l'invention peuvent être utiles dans le traitement d'états où l'androgène est présent.

  本发明涉及具有式(I)的类固醇5$g(a)-还原酶抑制剂，其中R1是氢，C1-C6烷基，芳基-C1-C6烷基或芳酰基；Y是氧或硫；W是一个组(2)，其中R2和R3各自独立地选自由氢，C1-C6烷基，C5-C6环烷基，C6-C9环烷基烷基和芳基组成的群，其中烷基，环烷基，环烷基烷基和芳基中的每一种都可以未被取代或被取代为一个取代基-OR4，其中R4是氢或C1-C4烷基；A是氢，C1-C6烷基，C5-C6环烷基或C6-C9环烷基烷基，其中烷基，环烷基和环烷基烷基中的每一种均可以未被取代或被取代为从以下选择的取代基：a）-OR4，其中R4如上所定义，和b）(3)，其中R5和R6各自独立地选自由氢，C1-C6烷基，C5-C6环烷基和芳基组成的群，或者R5和R6与它们连接的氮原子形成一个五元或六元饱和杂环，可选地包含至少一个从氧和氮中选择的其他杂原子；符号(----)表示单键或双键，以及其药学上可接受的盐。鉴于它们的5$g(a)-还原酶抑制活性，本发明的化合物可用于治疗雄激素依赖性疾病。
• AZOLYLACYLGUANIDINES AS beta-SECRETASE INHIBITORS
  申请人：Cole Derek Cecil

  公开号：US20080287424A1

  公开（公告）日：2008-11-20

  The present invention provides an azolylacylquanidine compound of formula I The present invention also provides methods for the use thereof to inhibit β-secretase (BACE) and treat β-amyloid deposits and neurofibrillary tangles.

  本发明提供了一种式子为I的咪唑基酰基喹啉胺化合物。本发明还提供了使用该化合物的方法，以抑制β-分泌酶（BACE）并治疗β-淀粉样沉积和神经原纤维缠结。