硫酸肌酐 | 31377-28-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 硫酸肌酐
• 中文别名: 2-氨基-1-甲基-2-咪唑啉-4-酮；肌酸酐半硫酸盐
• 英文名称: creatinine sulphate
• 英文别名: Creatinine hemisulfate crystalline；2-imino-1-methylimidazolidin-4-one;sulfuric acid
• CAS: 31377-28-3
• 化学式: C₄H₇N₃O*H₂O₄S
• 分子量: 211.199
• InChiKey: MEVXSUZBFYZPHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.88
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  142
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  硫酸肌酐 、 N-[3-(cyanomethyl)-1H-indol-5-yl]formamide 在 aluminum nickel 一水合肼 作用下， 以 乙醇 、 水 为溶剂， 生成 5-carboxamidotryptamine
  参考文献：
  名称：

  5-substituted 3-aminoalkyl indoles

  摘要：

  揭示了一般式(I)的化合物 ##STR1## 其中R.sub.1代表CHO基团、COR.sub.8基团、CO.sub.2R.sub.8基团、CONR.sub.9R.sub.10基团、CSNR.sub.9R.sub.10基团或SO.sub.2NR.sub.9R.sub.10基团，其中R.sub.8代表烷基、环烷基、芳基或芳基烷基，R.sub.9代表氢原子或烷基基团，R.sub.10代表氢原子或烷基、环烷基、芳基或芳基烷基；R.sub.2、R.sub.3、R.sub.4、R.sub.6和R.sub.7，可能相同也可能不同，每个代表氢原子或C.sub.1-3烷基基团；R.sub.5代表氢原子或烷基、环烷基、烯基或芳基烷基基团或R.sub.4和R.sub.5一起形成芳基烷基亚基团或R.sub.4和R.sub.5与其连接的氮原子一起形成饱和的单环5-至7-成员环；Alk代表含有两个或三个碳原子的烷基链，可以是未取代的或被不超过两个C.sub.1-3烷基基团取代；但是，当R.sub.4和R.sub.5都代表烷基基团时，R.sub.1不代表CHO基团或COR.sub.8基团，当R.sub.4、R.sub.5、R.sub.6和R.sub.7都代表氢原子时，R.sub.1不代表SO.sub.2NH.sub.2基团；以及其生理上可接受的盐、溶剂和生物前体。这些成分被描述为潜在用于治疗偏头痛的，并且可以制备为药物组成物，在常规方法中使用一个或多个药学上可接受的载体或赋形剂。揭示了包括化合物制备的各种过程，例如，将氨基烷基吲哚与一般式R.sub.1OH的酸或相应的酰化剂或与无机氰酸酯或有机异氰酸酯或异硫氰酸酯反应，以在吲哚核上的5位引入所需的R.sub.1基团。

  公开号：

  US04839377A1

文献信息

• Indole compounds and use thereof
  申请人：Glaxo Group Limited

  公开号：US04252803A1

  公开（公告）日：1981-02-24

  Compounds are disclosed of general formula (I): ##STR1## wherein R.sub.1 and R.sub.2 each independently represents a hydrogen atom, or an aryl, aralkyl, cycloalkyl, fluoroalkyl or alkyl group, which alkyl group is optionally substituted by an alkenyl group or by a group -OR.sub.7 or by ##STR2## where R.sub.7 and R.sub.8 each independently represents a hydrogen atom, an alkyl, aryl or aralkyl group; or R.sub.1 and R.sub.2 together with the nitrogen atom to which they are attached form a saturated monocyclic 5 to 7 membered ring which may contain a further hetero function (viz--O--, --NH or ##STR3## R.sub.3 and R.sub.4 have the same meanings as R.sub.1 and R.sub.2 and may together form an aralkylidene group; R.sub.5 represents a hydrogen atom or an alkyl or aralkyl group; R.sub.6 represents a hydrogen atom or an aryl or C.sub.1 -C.sub.3 alkyl group; Alk represents an C.sub.1 -C.sub.4 alkylene group optionally substituted at one or more of its carbon atoms by one to three C.sub.1 -C.sub.3 alkyl groups; and X represents an oxygen or sulphur atom, and its physiologically acceptable salts, hydrates and bioprecursors. The indoles (I) may be prepared by combinations of reactions to introduce the desired substituents into suitable intermediates either before or after cyclization to form the indole nucleus. The compounds have selective actions on blood vessels and, in particular exhibit antihypertensive properties. They may be formulated in conventional manner as pharmaceutical compositions.

  化合物的通用结构式（I）已披露如下：##STR1## 其中，R.sub.1和R.sub.2各自独立地代表氢原子，或芳基、芳基烷基、环烷基、氟烷基或烷基基团，该烷基基团可选择地被烯基基团或基团-OR.sub.7或##STR2##所取代，其中R.sub.7和R.sub.8各自独立地代表氢原子、烷基、芳基或芳基烷基；或者R.sub.1和R.sub.2与它们连接的氮原子一起形成饱和的单环5到7成员环，该环可能包含进一步的杂原子功能（即-O-，-NH或##STR3## R.sub.3和R.sub.4的含义与R.sub.1和R.sub.2相同，它们可以一起形成芳基烷基亚甲基基团；R.sub.5代表氢原子或烷基或芳基烷基基团；R.sub.6代表氢原子或芳基或C.sub.1 -C.sub.3烷基基团；Alk代表一个C.sub.1 -C.sub.4烷基基团，该烷基基团在其一个或多个碳原子上可以被一个到三个C.sub.1 -C.sub.3烷基基团取代；X代表氧原子或硫原子，以及其生理上可接受的盐、水合物和生物前体。这些吲哚（I）可以通过反应的组合制备，将所需的取代基引入适当的中间体，无论是在环化形成吲哚核之前还是之后。这些化合物对血管具有选择性作用，特别表现出降压性能。它们可以按照传统方式制备成药物组合物。
• 5-substituted 3-aminoalkyl indoles
  申请人：Glaxo Group Limited

  公开号：US04839377A1

  公开（公告）日：1989-06-13

  Compounds are disclosed of general formula (I) ##STR1## wherein R.sub.1 represents a group CHO, COR.sub.8, CO.sub.2 R.sub.8, CONR.sub.9 R.sub.10, CSNR.sub.9 R.sub.10 or SO.sub.2 NR.sub.9 R.sub.10, where R.sub.8 represents an alkyl, cycloalkyl, aryl or aralkyl group, R.sub.9 represents a hydrogen atom or an alkyl group, and R.sub.10 represents a hydrogen atom or an alkyl, cyclo-alkyl, aryl or aralkyl group; R.sub.2, R.sub.3, R.sub.4, R.sub.6 and R.sub.7, which may be the same or different, each represents a hydrogen atom or a C.sub.1-3 alkyl group; R.sub.5 represents a hydrogen atom or an alkyl, cycloalkyl, alkenyl or an aralkyl group or R.sub.4 and R.sub.5 together form an aralkylidene group or R.sub.4 and R.sub.5 together with the nitrogen atom to which they are attached form a saturated monocyclic 5- to 7-membered ring; and Alk represents an alkylene chain containing two or three carbon atoms which may be unsubstituted or substituted by not more than two C.sub.1-3 alkyl groups; with the provisos that when R.sub.4 and R.sub.5 both represent alkyl groups R.sub.1 does not represent the group CHO or COR.sub.8 and that when R.sub.4, R.sub.5, R.sub.6 and R.sub.7 all represent hydrogen R.sub.1 does not represent the group SO.sub.2 NH.sub.2 ; and physiologically acceptable salts, solvates and bioprecursors thereof. The components are described as potentially useful for the treatment of migraine and may be formulated as pharmaceutical compositions in convention manner using one or more pharmaceutically acceptable carriers or excipients. Various processes for the preparation of the compounds are disclosed including, for example, reaction of an aminoalkyl indole with an acid of formula R.sub.1 OH or an acylating agent corresponding thereto or with an inorganic cyanate or an organic isocyanate or isothiocyanate in order to introduce the desired R.sub.1 group at the 5-position on the indole nucleus.

  揭示了一般式(I)的化合物 ##STR1## 其中R.sub.1代表CHO基团、COR.sub.8基团、CO.sub.2R.sub.8基团、CONR.sub.9R.sub.10基团、CSNR.sub.9R.sub.10基团或SO.sub.2NR.sub.9R.sub.10基团，其中R.sub.8代表烷基、环烷基、芳基或芳基烷基，R.sub.9代表氢原子或烷基基团，R.sub.10代表氢原子或烷基、环烷基、芳基或芳基烷基；R.sub.2、R.sub.3、R.sub.4、R.sub.6和R.sub.7，可能相同也可能不同，每个代表氢原子或C.sub.1-3烷基基团；R.sub.5代表氢原子或烷基、环烷基、烯基或芳基烷基基团或R.sub.4和R.sub.5一起形成芳基烷基亚基团或R.sub.4和R.sub.5与其连接的氮原子一起形成饱和的单环5-至7-成员环；Alk代表含有两个或三个碳原子的烷基链，可以是未取代的或被不超过两个C.sub.1-3烷基基团取代；但是，当R.sub.4和R.sub.5都代表烷基基团时，R.sub.1不代表CHO基团或COR.sub.8基团，当R.sub.4、R.sub.5、R.sub.6和R.sub.7都代表氢原子时，R.sub.1不代表SO.sub.2NH.sub.2基团；以及其生理上可接受的盐、溶剂和生物前体。这些成分被描述为潜在用于治疗偏头痛的，并且可以制备为药物组成物，在常规方法中使用一个或多个药学上可接受的载体或赋形剂。揭示了包括化合物制备的各种过程，例如，将氨基烷基吲哚与一般式R.sub.1OH的酸或相应的酰化剂或与无机氰酸酯或有机异氰酸酯或异硫氰酸酯反应，以在吲哚核上的5位引入所需的R.sub.1基团。