hydrochloride dihydrate salt

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 卤代有机物
• 英文名称: hydrochloride dihydrate salt
• 英文别名: monohydrochloride dihydrate；hydrogen chloride*2H2O；hydrogen chloride dihydrate；Oxonium chloride；oxidanium;chloride
• 化学式: ClH*2H₂O
• 分子量: 72.4915
• InChiKey: DKAGJZJALZXOOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  2
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-cyano-2-imino-4-(5-methyl-pyridin-3-yl)-2H-pyrrolo[2,3-h]chromene 、 hydrochloride dihydrate salt 在 3-cyano-4-(5-methyl-pyridin-3-yl)-2-oxo-2H-pyrrolo[2,3-h]chromene 作用下， 以produced 3-cyano-4-(5-methyl-pyridin-3-yl)-2-oxo-2H-pyrrolo[2,3-h]chromene (compound of Formula III)的产率得到3-cyano-4-(5-methyl-pyridin-3-yl)-2-oxo-2H-pyrrolo[2,3-h]chromene
  参考文献：
  名称：

  Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof

  摘要：

  本发明涉及被取代的香豆素和喹啉及其类似物，其通式为I:1，其中A、B、X、Y和Z在此定义。本发明还涉及发现具有I式化合物的化合物是半胱天冬酶激活剂和凋亡诱导剂。因此，本发明的半胱天冬酶激活剂和凋亡诱导剂可用于在各种临床情况下诱导细胞死亡，其中发生异常细胞的不受控制的生长和扩散。

  公开号：

  US20030114485A1
• 作为产物：
  描述：

  臭氧 在 氯 作用下， 以 neat (no solvent) 为溶剂， 生成 hydrochloride dihydrate salt
  参考文献：
  名称：

  氯对臭氧的光敏分解

  摘要：

  被氯光敏化的臭氧分解已成为众多研究的主题，从最近的工作中可以看出，该反应的动力学绝不像最初想象的那么简单。特别是，最近 Heidt、Kistiakowsky 和 ​​Forbes 的论文描述了一种复杂的暗反应，它与光敏分解同时发生。我们怀着极大的兴趣阅读了这篇论文，因为我们也参与了对这种反应的调查，虽然我们的结果证实了本文中的内容，但我们无法同意作者对它们的解释。

  DOI：

  10.1038/131544c0
• 作为试剂：
  描述：

  球磺胺 在 potassium bromate 、 hydrochloride dihydrate salt 、 potassium bromide 作用下， 生成 4-amino-3-bromo-benzenesulfonic acid-(5-ethyl-[1,3,4]thiadiazol-2-ylamide)
  参考文献：
  名称：

  Zur Kenntnis der Brom-Sulfonamid-Verbindungen. 2. Mitteilung über Sulfonamide

  摘要：

  DOI：

  10.1002/ardp.19432810502

文献信息

• Substituted benzylaminoquinuclidines as substance P antagonists
  申请人：Pfizer Inc.

  公开号：US05604241A1

  公开（公告）日：1997-02-18

  Compounds useful in the treatment of inflammatory disorders, central nervous system disorders and other disorders of the formula I ##STR1## and the pharmaceutically-acceptable salts thereof, wherein Ar.sup.1 and Ar.sup.2 are each independently aryl or substituted aryl; R.sup.1 is alkyl having from 1 to 6 carbon atoms; R.sup.2 is hydrogen or alkyl having from 1 to 6 carbon atoms; and either X and Y are taken separately and they are each, independently, hydrogen, dialkylphosphoryl having 2 to carbon atoms, alkyl having from 1 to 6 carbon atoms, alkenyl having from 2 to 6 carbon atoms or alkynyl having from 2 to 6 carbon atoms; or X and Y are taken together and they represent a hydrocarbon chain having 3, 4, or 5 carbon atoms, optionally containing up to 2 double bonds and optionally having 1 or 2 substituents selected from oxo, hydroxy and alkyl having from 1 to 6 carbon atoms; or Y is methoxy when X is ethyl; provided that when X and Y are taken together they are attached to adjacent carbon atoms; and provided that if either X or Y is hydrogen, then the other one must be alkenyl or alkynyl; and provided that when Y is methoxy and X is ethyl, then Y is at the 4-position and X is at the 5-position, Ar.sup.1 or Ar.sup.2 must each be phenyl, R.sup.1 is methyl and R.sup.2 is hydrogen.

  用于治疗炎症性疾病、中枢神经系统疾病和其他公式I的化合物##STR1##及其药用盐，其中Ar.sup.1和Ar.sup.2分别独立地为芳基或取代芳基；R.sup.1为具有1至6个碳原子的烷基；R.sup.2为氢或具有1至6个碳原子的烷基；X和Y分别取，并且它们分别独立地为氢、具有2至碳原子的二烷基磷酰基、具有1至6个碳原子的烷基、具有2至6个碳原子的烯基或具有2至6个碳原子的炔基；或者X和Y一起取，并且它们代表具有3、4或5个碳原子的碳氢链，可选地含有最多2个双键，并且可选地具有1或2个从氧代、羟基和具有1至6个碳原子的烷基中选择的取代基；或者当X为乙基时，Y为甲氧基；前提是当X和Y一起取时，它们连接到相邻的碳原子上；并且如果X或Y中的任一个为氢，则另一个必须为烯基或炔基；并且当Y为甲氧基且X为乙基时，Y位于4位，X位于5位，Ar.sup.1或Ar.sup.2必须为苯基，R.sup.1为甲基，R.sup.2为氢。
• Derivatives of benzofuran or benzodioxole
  申请人：Kyowa Hakko Kogyo Co., Ltd.

  公开号：US06514996B2

  公开（公告）日：2003-02-04

  An oxygen-containing heterocyclic compound represented by following Formula (I): wherein R1 and R2 independently represent hydrogen, lower alkyl, cyano, —(CH2)n—E1—CO—G1 (wherein E1 represents a bond, O, or NH; and G1 represents hydrogen, substituted or unsubstituted lower alkyl, OR6, or NR7R8; and n represents an integer of 0 to 4), or the like; R1 and R2 are combined to represent a saturated carbon ring together with a carbon atom adjacent thereto; or R2, and R11 or R13 described below are combined to form a single bond; R3 represents hydrogen, phenyl, or halogen; R4 represents hydroxy, lower alkoxy, or the like; A represents —C(R9)(R10)— or O; B represents O, NR11, —C(R12)(R13)—, or —C(R14)(R15)—C(R16)(R17)—; D represents (i) —C(R18)(R19)—X— (wherein X represents —C(R21)(R22)—, S, or NR23), (ii) —C(R19a)═Y— [Y represents —C(R24)—Z— (wherein Z represents CONH, CONHCH2, or a bond), or N], or (iii) a bond; and R5 represents aryl, an aromatic heterocyclic group, cycloalkyl, pyridine-N-oxide, cyano, or lower alkoxycarbonyl; or pharmaceutically acceptable salts thereof.

  根据您的要求，以下是该化学公式（I）的中文翻译： 一个含氧杂环化合物，由以下公式（I）表示：其中R1和R2独立代表氢、低级烷基、氰基、—(CH2)n—E1—CO—G1（其中E1代表一个键、O或NH；G1代表氢、取代或未取代的低级烷基、OR6或NR7R8；n代表0到4的整数），或类似物；R1和R2共同代表与相邻碳原子一起的饱和碳环；或者R2与下面描述的R11或R13结合形成一个单键；R3代表氢、苯基或卤素；R4代表羟基、低级烷氧基或类似物；A代表—C(R9)(R10)—或O；B代表O、NR11、—C(R12)(R13)—或—C(R14)(R15)—C(R16)(R17)—；D代表（i）—C(R18)(R19)—X—（其中X代表—C(R21)(R22)—、S或NR23）、（ii）—C(R19a)═Y— [Y代表—C(R24)—Z—（其中Z代表CONH、CONHCH2或一个键）或N]，或（iii）一个键；R5代表芳基、芳香杂环基、环烷基、吡啶-N-氧化物、氰基或低级烷氧基甲酸；或其药物可接受的盐。
• New compounds
  申请人：——

  公开号：US20030149019A1

  公开（公告）日：2003-08-07

  The present invention relates to substituted bis-arylsulfonamide and arylsulfonamide compounds of the general formula (I) or the formula (II), which compounds are potentially useful for the prophylaxis and treatment of medical conditions relating to obesity, type II diabetes and/or disorders of the central nervous system. 1

  本发明涉及通式(I)或通式(II)的取代双芳基磺酰胺和芳基磺酰胺化合物，这些化合物可能对预防和治疗与肥胖、2型糖尿病和/或中枢神经系统紊乱相关的医疗状况有用。
• Piperazine compounds and medicinal use thereof
  申请人：Mitsubishi Pharma Corporation

  公开号：US06455528B1

  公开（公告）日：2002-09-24

  The present invention relates to a piperazine compound of the formula wherein R1 and R2 are each hydrogen, halogen, lower alkyl, lower alkoxy, amino, substituted amino, nitro, hydroxy or cyano, R3, R4 and R5 are each hydrogen, halogen, lower alkyl, lower alkoxy, nitro, amino, substituted amino or hydroxy, R6 and R7 are each hydrogen, lower alkyl, lower alkyl substituted by halogen, aralkyl, acyl or lower acyl substituted by halogen, R8 and R9 are each hydrogen or lower alkyl, Y is lower alkylene and the like, and ring A is phenyl, pyrimidyl, thiazolyl, pyridyl, pyrazyl or imidazolyl, a pharmaceutically acceptable salt thereof and pharmaceutical agents containing these compounds. The compound of the present invention has superior TNF-&agr; production inhibitory effect and/or IL-10 production promoting effect, and, since it is free of or shows only strikingly reduced expression of an effect on the central nervous system, the compound is useful as a highly safe and superior TNF-&agr; production inhibitor an/or IL-10 production promoter and is useful as an agent for the prophylaxis or treatment of various diseases caused by abnormal TNF-&agr; production, diseases curable with IL-10, such as chronic inflammatory diseases, acute inflammatory diseases, inflammatory diseases due to infection, autoimmune diseases, allergic diseases, and TNF-&agr; mediated diseases.

  本发明涉及一种哌嗪化合物，其化学式为 其中R1和R2分别为氢、卤素、低烷基、低烷氧基、氨基、取代氨基、硝基、羟基或氰基，R3、R4和R5分别为氢、卤素、低烷基、低烷氧基、硝基、氨基、取代氨基或羟基，R6和R7分别为氢、低烷基、受卤素取代的低烷基、芳基烷基、酰基或受卤素取代的低酰基，R8和R9分别为氢或低烷基，Y为低烷基烯基等，环A为苯基、嘧啶基、噻唑基、吡啶基、吡啉基或咪唑基，其药学上可接受的盐及含有这些化合物的药物制剂。本发明的化合物具有优越的TNF-α产生抑制作用和/或IL-10产生促进作用，由于它不含或仅显示对中枢神经系统有显著减少的作用，该化合物可用作高度安全和优越的TNF-α产生抑制剂和/或IL-10产生促进剂，并可用作预防或治疗由异常TNF-α产生引起的各种疾病的药剂，例如可用于治疗可通过IL-10治愈的慢性炎症性疾病、急性炎症性疾病、感染引起的炎症性疾病、自身免疫疾病、过敏性疾病和TNF-α介导的疾病。
• Benzazepine derivatives
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04748239A1

  公开（公告）日：1988-05-31

  Vasodilating activity is exhibited by compounds having the formula ##STR1## and pharmaceutically acceptable salts thereof.

  扩血管活性由具有以下结构式的化合物和其药用可接受的盐所表现。