N-(4-吗啉-4-基噻吩并[2,3-e]嘧啶-2-基)乙烷-1,2-二胺 | 33524-62-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 中文名称: N-(4-吗啉-4-基噻吩并[2,3-e]嘧啶-2-基)乙烷-1,2-二胺
• 英文名称: N-(4-morpholin-4-yl-thieno[3,2-d]pyrimidin-2-yl)-ethane-1,2-diamine
• 英文别名: N-[4-(4-morpholinyl)thieno[3,2-d]pyrimidin-2-yl]-1,2-ethanediamine；2-((2-aminoethyl)amino)-4-morpholinothieno(3,2-D)pyrimidine；N'-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)ethane-1,2-diamine
• CAS: 33524-62-8
• 化学式: C₁₂H₁₇N₅OS
• 分子量: 279.366
• InChiKey: ISFDRJXUWTUUMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  7

安全信息

• 海关编码：
  2934999090

文献信息

• 1-substituted imidazoles, and salts thereof, a method for their preparation and pharmaceutical formulations thereof
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0015002A1

  公开（公告）日：1980-09-03

  Imidazoles of formula (I) wherein A is a chemical bond or a straight or branched, saturated or unsaturated, aliphatic residue having from 1 to 6 carbon atoms, optionally substituted and/or optionally including 1, 2 or3 heteroatoms selected from oxygen, sulphur and nitrogen providing (in the case of 2 or 3 heteroatoms) that any such heteroatom is not located adjacent to a further such heteroatom or heteroatoms, the total number of said carbon atoms and heteroatoms not exceeding 6. R is a fused, saturated or unsaturated, non-aromatic carbocyclic, bi- or tri-cyclic ring system providing that when R is a 9- decahydronaphthyl group, A does not represent a carbonyl group, a saturated or unsaturated, carbocyclic spirocyclic ring system, optionally containing one or more ring heteroatoms selected from oxygen, sulphur and nitrogen; or a saturated or unsaturated. carbocyclic bridged-polycyclic ring system, optionally containing one or more ring heteroatoms selected from oxygen, sulphur and nitrogen and having one or more bridges providing that when R is an adamantanyl group, A does not represent an ethylene radical (-(CH2)2-) substituted at the carbon atom a to the adamantanyl group by a hydroxy, oxo, ether or thioether grouping; or AR together represent a straight or branched, saturated or unsaturated, aliphatic residue having 3 to 6 carbon atoms, optionally substituted and/or optionally including 1, 2 or 3 heteroatoms selected from oxygen, sulphur and nitrogen providing (in the case of 2 or 3 heteroatoms) that any such heteroatom is not located adjacent to a further such heteroatom or heteroatoms, the total number of said carbon and heteroatoms not exceeding 6; which aliphatic residue is substituted by at least two groups, which may be the same or different, selected from the groups specified for R above and acid addition salts and pharmaceutically acceptable bioprecursors thereof. Methods of preparing the imidazoles are disclosed The imidazoles and their acid addition salts an bioprecur. sors are useful in the treatment of prophylaxis of thrombo- embolic conditions.

  式(I)的咪唑 其中 A 是化学键或直链或支链、饱和或不饱和、脂肪族残基，具有 1 至 6 个碳原子，任选被取代和/或任选包括 1、2 或 3 个选自氧、硫和氮的杂原子，条件是（在 2 或 3 个杂原子的情况下）任何此类杂原子不与另一个或多个此类杂原子相邻，所述碳原子和杂原子的总数不超过 6。 R 是融合的、饱和或不饱和的、非芳香族碳环、双环或三环的环系统，但当 R 是 9-十氢萘基时，A 不代表羰基、饱和或不饱和的碳环螺环系统，可选地含有一个或多个选自氧、硫和氮的环杂原子；或饱和或不饱和的碳环桥聚环系统。(b) 碳环桥式多环环系统，可选择含有一个或多个选自氧、硫和氮的环杂原子，并 具有一个或多个桥，条件是当 R 为金刚烷基时，A 不代表在金刚烷基的碳原子 a 处被羟基、氧代、醚或硫醚基团取代的乙烯基 (-(CH2)2-)；或 AR 共同代表直链或支链、饱和或不饱和、具有 3 至 6 个碳原子的脂族残基，可选被取代和/或可选包括 1、2 或 3 个选自氧、硫和氮的杂原子，前提是（在 2 或 3 个杂原子的情况下）任何此类杂原子不与另一个或多个此类杂原子相邻，所述碳原子和杂原子的总数不超过 6；该脂肪族残基被至少两个基团取代，这两个基团可以相同或不同，选自上述 R 所指的基团及其酸加成盐和药学上可接受的生物前体。 已公开咪唑的制备方法 咪唑类及其酸加成盐和生物前体可用于血栓栓塞的预防治疗。
• Optically active hydantoin derivatives, their synthesis, pharmaceutical formulations containing them, and intermediates
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0019223A1

  公开（公告）日：1980-11-26

  Compounds of formula (I) having only two optically active centres, may exist as four isomers, each of which may be prepared by resolving a racemic amino-diester intermediate in the preparation thereof. The racemic amino-diester is selectively hydrolysed to the corresponding mono-ester which is acylated and subsequently selectively deacylated to produce the resolved mono-ester. Isomers of compounds of formula (I) having a particular configuration are biologically more active than the corresponding isomers having other configurations and are useful in medicine, either as the raw compound or in a pharmaceutical formulation, for example in inhibiting platelet aggregation.

  式 (I) 化合物 只有两个光学活性中心，可以存在四种异构体，每种异构体都可以通过分解制备过程中的外消旋氨基二酯中间体来制备。外消旋氨基二酯被选择性水解为相应的单酯，单酯被酰化，随后选择性脱酰化，生成已解析的单酯。 具有特定构型的式 (I) 化合物异构体比具有其他构型的相应异构体具有更高的生物活性，可作为原料化合物或药物制剂用于医药领域，例如抑制血小板聚集。
• Pharmacologically active N-amino hydantoin derivatives, their synthesis and intermediates
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0126849A1

  公开（公告）日：1984-12-05

  The hydantoins of formula (I) and their esters, amides, salts and solvates have prostaglandin mimetic and antagonistic properties rendering them useful in medicine. In formula (I) Z is hydrogen or alkyl; Z1 represents a group of formula -CH2-X-X1-X2 wherein, X is selected from -(CH2)2-, and cis and trans -CH=CH-, X' is a covalent bond or a straight or branched alkylene chain having 1 to 6 carbon atoms optionally having one of its methylene groups replaced by oxa (-0-) or thia (-S-) provided that at least one carbon atom separates the oxa or thia group from a carboxyl or -CH=CH- group, and X2 is a carboxyl group; and Z2 represents a group selected from -NH-CH2-R and -N=CH-R wherein, R is a group selected from -CO-Y and Y being a group selected from G3_8 alkyl, C3_8 alkenyl, phenyl-C1-4 alkyl and phenyl (wherein the phenyl group in both cases is optionally substituted by one or more groups independently selected from alkyl, alkoxy, nitro, halo and trihalomethyl), cycloalkyl of 4 to 8 carbon atoms, and 5- or 6- membered heterocyclic radicals containing at least one heteroatom selected from oxygen, sulphur and nitrogen; and Y' being a group selected from hydrogen, hydroxy, alkoxy and acyloxy.

  式 (I) 的 hydantoins 及其酯、酰胺、盐和溶液具有前列腺素模拟和拮抗特性，因此可用于医药。在式 (I) 中 Z 是氢或烷基； Z1 代表式-CH2-X-X1-X2 的基团，其中，X 选自-( )2-、顺式和反式-CH=CH-，X'是共价键或具有 1 至 6 个碳原子的直链或支链亚烷基链，其一个亚甲基可选择被氧杂（-0-）或硫杂（-S-）取代，条件是至少有一个碳原子将氧杂或硫杂基团与羧基或-CH=CH-基团隔开，且 X2 是羧基；以及 Z2 代表选自-NH- -R 和-N=CH-R 的基团，其中，R 是选自-CO-Y 和-CH=CH-R 的基团。 Y 是选自 G3_8 烷基、C3_8 烯基、苯基-C1-4 烷基和苯基（其中苯基在这两种情况下任选被一个或多个独立选自烷基、烷氧基、硝基、卤代和三卤甲基的基团取代）、4 至 8 个碳原子的环烷基和含有至少一个选自氧、硫和氮的杂原子的 5 或 6 成员杂环基的基团；以及 Y' 是选自氢、羟基、烷氧基和酰氧基的基团。
• Imidazole derivatives and salts thereof, their synthesis, and pharmaceutical formulations thereof
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0003732B1

  公开（公告）日：1983-10-19
• Imidazole derivatives and salts thereof, their synthesis, and pharmaceutical formulations
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0003560B1

  公开（公告）日：1984-05-02