N-cyano-N'-(2-propyn-1-yl)-N''-(2-mercaptoethyl)guanidine | 71107-70-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-cyano-N'-(2-propyn-1-yl)-N''-(2-mercaptoethyl)guanidine
• 英文别名: N-cyano-N'-propargyl-N''-(2-mercaptoethyl)guanidine；N-cyano-N'-propargyl-N"-(2-mercaptoethyl)guanidine；N-Cyano-N'-(2-propyn-1-yl)-N"-(2-mercaptoethyl)guanidine；1-cyano-3-prop-2-ynyl-2-(2-sulfanylethyl)guanidine
• CAS: 71107-70-5
• 化学式: C₇H₁₀N₄S
• 分子量: 182.249
• InChiKey: ACCDPTZPTFHVIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  61.2
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-cyano-N'-(2-propyn-1-yl)-N''-(2-mercaptoethyl)guanidine 生成 N-Cyano-N'-(2-propyn-1-yl)-N"-{2-[(2-guanidinothiazol-4-yl)methylthio]ethyl}guanidine
  参考文献：
  名称：

  Thiazole derivatives

  摘要：

  式为##STR1##的化合物，其中R.sup.1是含有3至9个碳原子的直链或支链炔基团；R.sup.2和R.sup.3分别独立地是氢、(较低)烷基、胍基或--(CH.sub.2).sub.p NR.sup.4 R.sup.5；R.sup.4和R.sup.5分别独立地是氢、(较低)烷基或苯基；n为2或3；p为1、2或3；X为NR.sup.6或CHR.sup.6；R.sup.6为氰基、硝基、SO.sub.2 Ar或SO.sub.2 (较低)烷基；Ar为苯基或含有1或2个卤素和(较低)烷基的苯基；以及其无毒、药用可接受的盐，是有效的抗溃疡药物。

  公开号：

  US04200578A1
• 作为产物：
  描述：

  1-cyano-2-methyl-3-propargylisothiourea 、 巯基乙胺 、 甲醇 、 乙醇 、 N,N-二甲基甲酰胺 以76%的产率得到
  参考文献：
  名称：

  SVOBODA, JIRI;PALECEK, JAROSLAV;DEDEK, VACLAV;MOSTECKY, JIRI, SB. VSCHT PRAZE, 29,(1986) 55-67

  摘要：

  DOI：

文献信息

• N-Cyano-N'-alkynyl-N"-2-mercaptoethylguanidines
  申请人：Bristol-Myers Company

  公开号：US04158013A1

  公开（公告）日：1979-06-12

  Anti-ulcer agents of the formula ##STR1## wherein R.sup.1 is a straight or branched chain alkynyl group containing from 3 to 9 carbon atoms, inclusive, are prepared by reacting a compound of the formula ##STR2## wherein X is a conventional leaving group, preferably in the form of its acid addition salt, with a compound of the formula ##STR3## wherein R.sup.1 is as defined above. The intermediates of Formula III may be prepared by reacting a cysteamine salt with an isothiourea of the formula ##STR4## wherein R.sup.1 is as described above, in the presence of a base.

  公式为##STR1##的抗溃疡药物，其中R1是含有3至9个碳原子的直链或支链炔基，可通过将##STR2##式化合物（其中X是传统的离去基，最好是以其酸加成盐的形式存在）与##STR3##式化合物（其中R1如上定义）反应制备。式III的中间体可以通过在碱的存在下将半胱氨酸盐与##STR4##式中的异硫脲（其中R1如上所述）反应制备。
• N,N'-[Bis(N-cyanoguanyl)]cystamine derivatives
  申请人：Bristol-Meyers Company

  公开号：US04157340A1

  公开（公告）日：1979-06-05

  Novel compounds of the formula ##STR1## wherein each R.sup.1 is the same and is a straight or branched chain alkynyl group containing from 3 to 9 carbon atoms, inclusive, which are useful intermediates in the preparation of anti-ulcer agents, are prepared by reacting cystamine (VI) with an N-cyano-N'-alkynyl-S-methylisothiourea of the formula ##STR2## in which R.sup.1 is as defined above.

  公式为 ##STR1## 的新化合物，其中每个R.sup.1相同且为直链或支链烷基，含有3至9个碳原子，包括3和9，这些化合物是制备抗溃疡剂的有用中间体，通过将半胱氨酸（VI）与公式为 ##STR2## 的N-氰基-N'-烷基-S-甲基异硫脲反应制备，其中R.sup.1如上所定义。
• Furan compounds
  申请人：Bristol-Myers Company

  公开号：US04203909A1

  公开（公告）日：1980-05-20

  Compounds of the formula ##STR1## wherein R.sup.1 is a straight or branched chain alkynyl group containing from 3 to 9 carbon atoms, inclusive; R.sup.2 and R.sup.3 are the same or different and are hydrogen, (lower)alkyl, (lower)alkenyl, (lower)alkynyl or Ar; R.sup.4 is hydrogen or (lower)alkyl; n is an integer of from 1 to 6; p is 1 or 2 and q is 2 or 3, provided that the sum of p and q is 3 or 4; X is NR.sup.5 or CHR.sup.5 ; R.sup.5 is cyano, nitro, SO.sub.2 Ar or SO.sub.2 (lower)alkyl; and Ar is an optionally substituted phenyl group; and nontoxic, pharmaceutically acceptable salts thereof, are potent anti-ulcer agents. Processes for their preparation and novel intermediates are also disclosed.

  化合物的公式为##STR1##其中R.sup.1是含有3至9个碳原子的直链或支链炔基基团; R.sup.2和R.sup.3相同或不同，可以是氢、(低)烷基、(低)烯基、(低)炔基或Ar; R.sup.4是氢或(低)烷基; n是1至6的整数; p为1或2，q为2或3，前提是p和q的和为3或4; X为NR.sup.5或CHR.sup.5; R.sup.5为氰基、硝基、SO.sub.2 Ar或SO.sub.2 (低)烷基; Ar为可选的取代苯基;以及其无毒、药学上可接受的盐，是有效的抗溃疡剂。还公开了其制备过程和新的中间体。
• Pyridyl guanidine anti-ulcer agents
  申请人：Bristol-Myers Company

  公开号：US04250316A1

  公开（公告）日：1981-02-10

  Compounds of the formula ##STR1## wherein R.sup.1 is a straight or branched chain alkynyl group containing from 3 to 9 carbon atoms, inclusive; R.sup.2 is hydrogen, hydroxy, cyano, (lower)alkyl, (lower)alkoxy, halogen or amino; n is 2 or 3; X is NR.sup.3 or CHR.sup.3 ; R.sup.3 is cyano, nitro, SO.sub.2 Ar; or SO.sub.2 (lower)alkyl; R.sup.12 is hydrogen or (CH.sub.2).sub.p NR.sup.13 R.sup.14 ; p is an integer of from 1 to 4, inclusive; R.sup.13 and R.sup.14 each are independently hydrogen or (lower)alkyl; and Ar is phenyl or phenyl containing 1 or 2 substituents independently selected from halogen and (lower)alkyl; and nontoxic, pharmaceutically acceptable salts thereof, are potent anti-ulcer agents.

  分子式为##STR1##的化合物，其中R.sup.1是含有3至9个碳原子的直链或支链炔基基团; R.sup.2是氢，羟基，氰基，(较低)烷基，(较低)烷氧基，卤素或氨基; n为2或3; X为NR.sup.3或CHR.sup.3; R.sup.3为氰基，硝基，SO.sub.2 Ar; 或SO.sub.2(较低)烷基; R.sup.12为氢或(CH.sub.2).sub.p NR.sup.13 R.sup.14; p为1至4的整数，包括1和4; R.sup.13和R.sup.14各自独立地为氢或(较低)烷基; Ar为苯或含有1或2个卤素和(较低)烷基的苯基; 以及其无毒、药学上可接受的盐，是有效的抗溃疡剂。
• 1-Nitro-2-(2-alkynylamino)-2-[(2-pyridylmethylthio)-ethylamino]ethylene
  申请人：Bristol-Myers Company

  公开号：US04282363A1

  公开（公告）日：1981-08-04

  Compounds of the formula ##STR1## wherein R.sup.1 is a straight or branched chain alkynyl group containing from 3 to 9 carbon atoms, inclusive; R.sup.2 is hydrogen, hydroxy, cyano, (lower)alkyl, (lower)alkoxy, halogen or amino; n is 2 or 3; X is NR.sup.3 or CHR.sup.3 ; R.sup.3 is cyano, nitro, SO.sub.2 Ar; or SO.sub.2 (lower)alkyl; R.sup.12 is hydrogen or (CH.sub.2).sub.p NR.sup.13 R.sup.14 ; p is an integer of from 1 to 4, inclusive; R.sup.13 and R.sup.14 each are independently hydrogen or (lower)alkyl; and Ar is phenyl or phenyl containing 1 or 2 substituents independently selected from halogen and (lower)alkyl; and nontoxic, pharmaceutically acceptable salts thereof, are potent anti-ulcer agents.

  化合物的公式为##STR1##其中R.sup.1是含有3至9个碳原子的直链或支链炔基；R.sup.2是氢、羟基、氰基、(较低)烷基、(较低)烷氧基、卤素或氨基；n为2或3；X是NR.sup.3或CHR.sup.3；R.sup.3是氰基、硝基、SO.sub.2 Ar；或SO.sub.2 (较低)烷基；R.sup.12是氢或(CH.sub.2).sub.p NR.sup.13 R.sup.14；p为1至4的整数；R.sup.13和R.sup.14各自独立地是氢或(较低)烷基；Ar是苯基或含有1或2个独立选择的卤素和(较低)烷基的苯基；以及其无毒、药学上可接受的盐，是强效的抗溃疡剂。