Hydroiodid v. 1-Methyl-2-methylthio-1,4,5,6-tetrahydropyrimidin | 61406-16-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: Hydroiodid v. 1-Methyl-2-methylthio-1,4,5,6-tetrahydropyrimidin
• 英文别名: 1-methyl-2-methylthio-1,4,5,6-tetrahydropyrimidine hydroiodide；3,4,5,6-tetrahydro-3-methyl-2-methylthiopyrimidine hydroiodic acid salt；3-methyl-2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-3-ium;iodide
• CAS: 61406-16-4
• 化学式: C₆H₁₂N₂S*HI
• 分子量: 272.153
• InChiKey: MYOQEVZJNGELTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.66
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  40.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(1H-吲哚-3-磺酰基)-乙胺 、 Hydroiodid v. 1-Methyl-2-methylthio-1,4,5,6-tetrahydropyrimidin 以 异丙醇 为溶剂， 反应 18.0h， 生成 [2-(1H-Indol-3-ylsulfanyl)-ethyl]-[1-methyl-tetrahydro-pyrimidin-(2E)-ylidene]-amine
  参考文献：
  名称：

  Cardiac-slowing amidines containing the 3-thioindole group. Potential antianginal agents

  摘要：

  A series of 3-thioindolamidines (and 3-indolamidines) related to mixidine (1) was studied for cardiac-slowing properties, following the discovery of activity for prototype thioindole 2. Structure-activity relationships were explored, leading to many potent antitachycardiac agents (6-9, 12, 13, 15-17, 20, 23, 24, 30, 34, 35, 45, and 47-49). Relative to 2, cardiac-slowing activity is enhanced by substitution of the indole nitrogen with small (C1-C3) saturated alkyl groups (6-9), unsaturated alkyl groups (12, 13, and 15-17), or a methoxyethyl group (20); replacement of the N-methyl group with alkyl (23) or phenyl groups (24); and extension of the ethylene bridge by two methylene units (34). Dethio (i.e., 3-indole) analogues of 2 with alkyl substitution on the indole nitrogen (47-49) have greater activity as well. Several potent compounds were also found to have minimal myocardial depression (6-9, 13, 45, and 47). Secondary pharmacological testing is reported for thioindoles 2, 6, 7, 9, and 28.

  DOI：

  10.1021/jm00356a021
• 作为产物：
  描述：

  2-(甲硫基)-1,4,5,6-四氢嘧啶 、 碘甲烷 以78%的产率得到
  参考文献：
  名称：

  ASSEF G.; KISTER J.; METZGER J., BULL. SOC. CHIM. FRANCE, 1979, PART. 2, NO 3-4, 165-176

  摘要：

  DOI：

文献信息

• Calcium antagonists
  申请人：Merrell Dow Pharmaceuticals Inc.

  公开号：US05106845A1

  公开（公告）日：1992-04-21

  The present invention is directed to a new class of cyclic guanidines of the formula: ##STR1## in which Q is represented by a substituent selected from the group consisting of (CH.sub.2).sub.n in which n is an integer from 2-10, ##STR2## A is a substituent selected from the group consisting of --NH--(CH.sub.2).sub.m in which m is an integer from 0-5, a piperidino substituent, or a piperazino substituent; both Ar and Ar.sub.1 are each independently represented by a phenyl ring, each of which may be optionally substituted with up to 3 substituents, each selected from the group consisting of halogen, C.sub.1-4 alkyl, C.sub.1-4 alkoxy, and trifluoromethyl; and R is represented by either hydrogen or a C.sub.1-4 alkyl; R.sub.1 is represented by hydrogen or a C.sub.1-4 alkyl; the optional isomers and tautomers thereof; and the pharmaceutically acceptable acid addition salts thereof, and their use as calcium antagonists.

  本发明涉及一种新类环状胍二酮，其化学式为：##STR1## 其中Q由选自(CH.sub.2).sub.n的取代基代表，其中n是2-10之间的整数，##STR2## A由选自--NH--(CH.sub.2).sub.m的取代基代表，其中m是0-5之间的整数，一个哌啶基取代基，或一个哌嗪基取代基；Ar和Ar.sub.1各自独立地由苯环代表，每个苯环可以选择性地取代高达3个取代基，每个取代基选自卤素、C.sub.1-4烷基、C.sub.1-4烷氧基和三氟甲基；R由氢或C.sub.1-4烷基代表；R.sub.1由氢或C.sub.1-4烷基代表；以及它们的可选异构体和互变异构体；它们的药学上可接受的酸加盐；以及作为钙拮抗剂的用途。
• Bicyclic triazolone derivatives and a herbicides containing the same
  申请人：——

  公开号：US20040063580A1

  公开（公告）日：2004-04-01

  The present invention provides a bicyclic triazolone derivative represented by the formula: J-Ar  (I) [wherein, J is 1 2 3 ], which has excellent selective weeding activity and weed killer containing the said bicyclic triazolone derivative.

  本发明提供了一种由公式J-Ar表示的双环三唑酮衍生物(I)，其中J为123，具有优异的选择性除草活性，以及含有所述双环三唑酮衍生物的除草剂。
• EP1333031
  申请人：——

  公开号：——

  公开（公告）日：——
• NAGARAJAN K.; ARYA V. P.; SHENOY S. J.; SHAH R. K.; GOUD A. N.; BHAT G. A+, INDIAN J. CHEM., 1977, B 15, HO 7, 629-634
  作者：NAGARAJAN K.、 ARYA V. P.、 SHENOY S. J.、 SHAH R. K.、 GOUD A. N.、 BHAT G. A+

  DOI：——

  日期：——
• US5106845A
  申请人：——

  公开号：US5106845A

  公开（公告）日：1992-04-21