4,6-bismethylthiopyrimidin-5-amine | 6311-79-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4,6-bismethylthiopyrimidin-5-amine
• 英文别名: 5-Amino-4,6-di-(methylthio)-pyrimidin；4,6-bis(methylthio)-5-aminopyrimidine；5-amino-4,6-dimethylthiopyrimidine；4,6-bis-methylsulfanyl-pyrimidin-5-ylamine；4,6-bis(methylthio)pyrimidin-5-amine5-amino-4,6-dichloropyrimidine；4,6-bis(methylsulfanyl)pyrimidin-5-amine
• CAS: 6311-79-1
• 化学式: C₆H₉N₃S₂
• 分子量: 187.29
• InChiKey: QEIFJODKTBVZGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4,6-bismethylthiopyrimidin-5-amine 在 间氯过氧苯甲酸 作用下， 以 氯仿 为溶剂， 反应 24.0h， 以100%的产率得到4,6-bismethylsulfonylpyrimidin-5-amine
  参考文献：
  名称：

  Hurst, Derek T., Australian Journal of Chemistry, 1983, vol. 36, # 7, p. 1477 - 1482

  摘要：

  DOI：
• 作为产物：
  描述：

  4,6-bismethylthio-5-nitropyrimidine 以35%的产率得到
  参考文献：
  名称：

  HURST, D. T., AUSTRAL. J. CHEM., 1983, 36, N 7, 1477-1482

  摘要：

  DOI：

文献信息

• Novel cyclic diamine compounds and medicine containing the same
  申请人：Kowa Company, Ltd.

  公开号：US20040038987A1

  公开（公告）日：2004-02-26

  The present invention offers novel cyclic diamine compounds and a pharmaceutical composition containing the same. The present invention relates to a compound represented by the formula (I) or salt(s) or solvate(s) thereof. 1 (In the formula, 2 is an optionally substituted divalent residue of benzene, pyridine, cyclohexane or naphthalene or is a vinylene group where Ar is an optionally substituted aryl group; X is —NH—, oxygen atom or sulfur atom; Y is —NR 1 —, oxygen atom, sulfur atom, sulfoxide or sulfone; Z is a single bond or —NR 2 —; R 1 is hydrogen atom, optionally substituted lower alkyl group, optionally substituted aryl group or optionally substituted silyl lower alkyl group; R 2 is hydrogen atom, optionally substituted lower alkyl group, optionally substituted aryl group or optionally substituted silyl lower alkyl group; l is an integer of from 0 to 15; m is an integer of 2 or 3; and n is an integer of from 0 to 3). The compound of the present invention is useful as a pharmaceutical composition, particuarly as an inhibitor of acyl coenzyme A cholesterol acyltransferase (ACAT).

  本发明提供了新颖的环状二胺化合物以及含有该化合物的药物组合物。本发明涉及由式(I)表示的化合物或其盐或溶剂化合物。(在该式中，2是苯、吡啶、环己烷或萘的可选择取代的二价残基，或者是Ar为可选择取代芳基的乙烯基；X为—NH—、氧原子或硫原子；Y为—NR1—、氧原子、硫原子、亚砜或砜；Z为单键或—NR2—；R1为氢原子、可选择取代的较低烷基、可选择取代的芳基或可选择取代的硅烷较低烷基；R2为氢原子、可选择取代的较低烷基、可选择取代的芳基或可选择取代的硅烷较低烷基；l为0到15的整数；m为2或3的整数；n为0到3的整数)。本发明的化合物可用作药物组合物，特别是作为酰辅酶A胆固醇酰基转移酶(ACAT)的抑制剂。
• Cyclic diamine compounds and medicine containing the same
  申请人：Shibuya Kimiyuki

  公开号：US06969711B2

  公开（公告）日：2005-11-29

  The present invention offers novel cyclic diamine compounds and a pharmaceutical composition containing the same. The present invention relates to a compound represented by the formula (I) or salt(s) or solvate(s) thereof. (In the formula, is an optionally substituted divalent residue of benzene, pyridine, cyclohexane or naphthalene or is a vinylene group where Ar is an optionally substituted aryl group; X is —NH—, oxygen atom or sulfur atom; Y is —NR 1 —, oxygen atom, sulfur atom, sulfoxide or sulfone; Z is a single bond or —NR 2 —; R 1 is hydrogen atom, optionally substituted lower alkyl group, optionally substituted aryl group or optionally substituted silyl lower alkyl group; R 2 is hydrogen atom, optionally substituted lower alkyl group, optionally substituted aryl group or optionally substituted silyl lower alkyl group; l is an integer of from 0 to 15; m is an integer of 2 or 3; and n is an integer of from 0 to 3). The compound of the present invention is useful as a pharmaceutical composition, particuarly as an inhibitor of acyl coenzyme A cholesterol acyltransferase (ACAT).

  本发明提供了新颖的环状二胺化合物以及含有该化合物的药物组合物。本发明涉及一种由式(I)表示的化合物或其盐或溶剂化合物。(在该式中，是苯、吡啶、环己烷或萘的可选择取代的二价残基，或者是一种乙烯基团，其中Ar是可选择取代的芳基；X是—NH—、氧原子或硫原子；Y是—NR1—、氧原子、硫原子、亚氧化物或砜；Z是单键或—NR2—；R1是氢原子、可选择取代的较低烷基团、可选择取代的芳基或可选择取代的硅烷较低烷基团；R2是氢原子、可选择取代的较低烷基团、可选择取代的芳基或可选择取代的硅烷较低烷基团；l是0到15的整数；m是2或3的整数；n是0到3的整数)。本发明的化合物可用作药物组合物，特别是作为酰辅酶A胆固醇酰基转移酶(ACAT)的抑制剂。
• N-(2-nitrophenyl)-5-aminopyrimidine derivatives and useful for
  申请人：Ciba-Geigy Corporation

  公开号：US04840662A1

  公开（公告）日：1989-06-20

  The invention discloses novel N-(2-nitrophenyl)-5-aminopyrimidine derivatives of the general formula ##STR1## wherein R.sub.1 and R.sub.2 are each independently NO.sub.2 or CF.sub.3, or one of R.sub.1 and R.sub.2 is hydrogen, R.sub.3 is hydrogen or halogen, R.sub.4 is hydrogen or the --C(O)R' group, in which R' is C.sub.1 -C.sub.4 alkyl which is unsubstituted or substituted by halogen, C.sub.1 -C.sub.3 alkoxy or C.sub.1 -C.sub.3 alkylthio, R.sub.5, R.sub.6 and R.sub.7 are each independently hydrogen, halogen, nitro, cyano, thiocyano, mercapto, C.sub.1 -C.sub.6 alkyl, C.sub.1 -C.sub.6 haloalkyl, C.sub.1 -C.sub.6 alkoxy, C.sub.1 -C.sub.6 alkoxy which is substituted by halogen, nitro, cyano, C.sub.1 -C.sub.3 alkoxy, C.sub.1 -C.sub.3 alkylthio and/or N(C.sub.1 -C.sub.4 alkyl).sub.2 ; or are C.sub.3 -C.sub.6 cycloalkoxy, C.sub.3 -C.sub.6 alkenyloxy, C.sub.3 -C.sub.6 alkynyloxy, C.sub.1 -C.sub.6 alkylthio, C.sub.3 -C.sub.6 alkenylthio, C.sub.1 -C.sub.6 alkylsulfonyl, C.sub.1 -C.sub.6 alkylsulfoxyl, C.sub.3 -C.sub.6 alkenyl, C.sub.3 -C.sub.6 haloalkenyl, C.sub.3 -C.sub.6 alkynyl, C.sub.3 -C.sub.6 haloalkynyl or the N(C.sub.1 -C.sub.4 alkyl).sub.2 group, and R.sub.5 may additionally be a phenyl or benzyl group which is unsubstituted or substituted by one to three identical or different members selected from halogen, nitro, cyano, C.sub.1 -C.sub.4 alkyl, C.sub.1 -C.sub.3 haloalkyl, N--(C.sub.1 -C.sub.3 alkyl).sub. 2, and/or C.sub.1 -C.sub.3 alkoxy. The preparation of these compounds and their use in agriculture are also disclosed.

  本发明揭示了一种新型的N-(2-硝基苯基)-5-氨基嘧啶衍生物，其一般式为##STR1##其中R.sub.1和R.sub.2各自独立地为NO.sub.2或CF.sub.3，或者R.sub.1和R.sub.2中的一个是氢，R.sub.3是氢或卤素，R.sub.4是氢或--C(O)R'基团，其中R'是未取代或取代卤素、C.sub.1-C.sub.3烷氧基或C.sub.1-C.sub.3烷基硫氧基的C.sub.1-C.sub.4烷基，R.sub.5、R.sub.6和R.sub.7各自独立地为氢、卤素、硝基、氰基、硫氰基、巯基、C.sub.1-C.sub.6烷基、C.sub.1-C.sub.6卤代烷基、C.sub.1-C.sub.6烷氧基、取代卤素、硝基、氰基、C.sub.1-C.sub.3烷氧基、C.sub.1-C.sub.3烷基硫氧基和/或N(C.sub.1-C.sub.4烷基).sub.2；或为C.sub.3-C.sub.6环烷氧基、C.sub.3-C.sub.6烯基氧基、C.sub.3-C.sub.6炔基氧基、C.sub.1-C.sub.6烷基硫氧基、C.sub.3-C.sub.6烯基硫氧基、C.sub.1-C.sub.6烷基磺酰基、C.sub.1-C.sub.6烷基亚砜氧基、C.sub.3-C.sub.6烯基、C.sub.3-C.sub.6卤代烯基、C.sub.3-C.sub.6炔基、C.sub.3-C.sub.6卤代炔基或N(C.sub.1-C.sub.4烷基).sub.2基团，其中R.sub.5还可以是未取代或取代卤素、硝基、氰基、C.sub.1-C.sub.4烷基、C.sub.1-C.sub.3卤代烷基、N-(C.sub.1-C.sub.3烷基).sub.2和/或C.sub.1-C.sub.3烷氧基的苯基或苄基。本发明还揭示了这些化合物的制备和在农业中的使用。
• Thiazolopyrimidine Derivative
  申请人：Sugihara Yoshihiro

  公开号：US20080269238A1

  公开（公告）日：2008-10-30

  The present invention provides a compound represented by the following Formula: wherein A is an aryl group or a heteroaryl group, each of which may be substituted; R 1 is a group which is bonded through carbon; R 2 is hydrogen or an aliphatic hydrocarbon group; and X is —NR 3 —, —O—, —S—, —SO—, —SO 2 —, or —CHR 3 — (wherein R 3 is hydrogen or an aliphatic hydrocarbon group), or a salt thereof, or a prodrug thereof, which has growth factor receptor tyrosine kinase inhibitory activity and low toxicity, and is useful for prevention and treatment of cancer, and thus can be sufficiently used as a medicine.

  本发明提供了以下式子所表示的化合物：其中，A是芳基或杂芳基，每个都可以被取代；R1是通过碳键结合的基团；R2是氢或脂肪烃基团；X是-NR3-、-O-、-S-、-SO-、-SO2-或-CHR3-（其中，R3是氢或脂肪烃基团），或其盐或前药。该化合物具有生长因子受体酪氨酸激酶抑制活性和低毒性，并且对于预防和治疗癌症非常有用，因此可以充分用作药物。
• N-(2-Nitrophenyl)-5-aminopyrimidin-Derivate, deren Herstellung und Verwendung
  申请人：CIBA-GEIGY AG

  公开号：EP0132826A1

  公开（公告）日：1985-02-13

  Es werden neue N(2-Nitrophenyl)-5- amino pyrimidin Derivate der allgemeinen Formel I beschrieben, worin R, und R. unabhängig voneinander für NO2 oder CF3 stehen oder einer von beiden für Wasserstoff steht; R3 Wasserstoff oder Halogen bedeutet; R. für Wasserstoff oder die Gruppe -C(0)R' steht, wobei R' unsubstituiertes oder durch Halogen, C1-C3-Alkoxy oder C1-C3-Alkylthio substituiertes C1-C4-Alkyl bedeutet; R., R. und R7 unabhängig voneinander für Wasserstoff, Halogen, Nitro, Cyano, Rhodano, Mercapto, C,-C.-Alkyl, C1-C8-Haloalkyl, C1-C6-Alkoxy, durch Halogen, Nitro, Cyano, C1-C3-Alkoxy, C1-C3-Alkylthio und/oder N(C1-C4-alkyl)2 substituiertes C1-C8-Alkoxy, C3-C6-Cycloalkoxy, C3-C6-Alkenyloxy, C3-C6-Alkinyloxy, C1-C6-Alkylthio, C3-C6-Alkenyhhio, C1-C6-Alkylsulfonyl, C1-C6-Alkylsulfoxyl, C3- C6-Alkenyl, C3-C6-Haloalkenyl, C3-C6-Alkinyl, C3-C6/Haloalkinyl oder für die Gruppe N(C1-C4-alkyl)2 stehen und R5 zusätzlich eine unsubstituierte oder ein- bis dreifach durch Halogen, Nitro, Cyano, C1-C4-Alkyl, C1-C3-Haloalkyl, N(C1-C3 alkyl)2, und/oder C1-C3-Alkoxy substituierte Phenyl- oder Benzylgruppe sein kann. Femerwerden deren Herstellung und deren Verwendung im Agrarbereich beschrieben.

  描述了通式 I 的新型 N（2-硝基苯基）-5-氨基嘧啶衍生物、 其中 R、和 R.各自代表 NO2 或 CF3，或其中之一代表氢； R3 是氢或卤素 R. 是氢或基团 -C(0)R'，其中 R' 是未被取代或被卤素、C1-C3 烷氧基或 C1-C3 烷硫基取代的 C1-C4 烷基； R.、R.和 R7 相互独立地代表氢、卤素、硝基、氰基、铑基、巯基、C,-C.-烷基、C1-C8 卤代烷基、C1-C8 卤代烷基、C1-C6 烷氧基、被卤素、硝基、氰基、C1-C3 烷氧基、C1-C3 烷硫基和/或 N（C1-C4 烷基）2 取代的 C1-C8 烷氧基、C3-C6 环烷氧基、C3-C6 烯氧基、C3-C6 炔氧基、C1-C6 烷硫基、C3-C6 烯硫基、C1-C6 烷磺酰基、C1-C6 烷磺酰胺基、C3-C6 烯基、C3-C6 卤代烯基、C3-C6 炔基、C3-C6 硫代炔基、C1-C6 烷硫基和/或 N（C1-C4 烷基）2C3-C6-卤代烯基、C3-C6-炔基、C3-C6-卤代炔基或 N（C1-C4-烷基）2 基团，R5 还可以是未被取代或被卤素、硝基、氰基、C1-C4-烷基、C1-C3-卤代烷基、N（C1-C3-烷基）2 和/或 C1-C3-烷氧基单至三取代的苯基或苄基。 此外，还介绍了它们的制备方法及其在农业中的应用。