2-Morpholino-5-methyl-1,3,4-thiadiazol | 98432-24-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-Morpholino-5-methyl-1,3,4-thiadiazol
• 英文别名: 4-(5-methyl-[1,3,4]thiadiazol-2-yl)-morpholine；4-(5-Methyl-1,3,4-thiadiazol-2-yl)morpholine
• CAS: 98432-24-7
• 化学式: C₇H₁₁N₃OS
• 分子量: 185.25
• InChiKey: MMJYZGLPGKPRTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  66.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-吗啉硫代羰酰肼 、 乙酸酐 生成 2-Morpholino-5-methyl-1,3,4-thiadiazol
  参考文献：
  名称：

  Kazakov,B.Ya.; Postovskii,I.Ya., Doklady Chemistry, 1960, vol. 134, p. 1077 - 1081

  摘要：

  DOI：

文献信息

• 5 Amino-2-carbonylthiophene derivatives for use as p38 map kinase inhibitors in the treatment of inflammatory diseases
  申请人：Gill Liam Adrian

  公开号：US20070082898A1

  公开（公告）日：2007-04-12

  The invention provides the use of a compound for the manufacture of a medicament for the prophylaxis or treatment of a disease state or condition mediated by a p38 MAP kinase; the compound being defined by formula (I): wherein: R 1 and R 2 are the same or different and each is selected from hydrogen, C 1-4 hydrocarbyl, halogen and cyano; X is selected from C═O, C═S, C(═O)NH, C(═S)NH, C(═O)O, C(═O)S, C(═S)O and C(═S)S; R 3 is selected from aryl and hetcroaryl groups each having from 5 to 12 ring members, the aryl and heteroaryl groups each being unsubstituted or substituted by one or more substituent groups R 7 selected from halogen, hydroxy, trifluoromethyl, cyano, nitro, carboxy, amino, carbocyclic and heterocyclic groups having from 3 to 12 ring members; a group R a —R b wherein R a is a bond, 0, CO, X 1 C(X 2 ), C(X 2 )X 1 , X 1 C(X 2 )X 1 , S, SO, SO 2 , NR c , SO 2 NR c or NR c SO 2 ; and R b is selected from hydrogen, carbocyclic and heterocyclic groups having from 3 to 7 ring members, and a C 1-8 hydrocarbyl group optionally substituted by one or more substituents selected from hydroxy, oxo, halogen, cyano, nitro, amino, mono- or di-C 1-4 hydrocarbylamino, carbocyclic and heterocyclic groups having from 3 to 12 ring members and wherein one or more carbon atoms of the C 1-8 hydrocarbyl group may optionally be replaced by O, S, SO, SO 2 , NR c , X 1 C(X 2 ), C(X 2 )X 1 or X 1 C(X 2 )X 1 ; X 1 is O, S or NR c and X 2 is ═O, ═S or ═NR c ; R c is hydrogen or C 1-4 hydrocarbyl; R 4 is a group YR 5 or a group R 6 ; Y is is NH, O or S; R 5 is selected from (a) carbocyclic and heterocyclic groups having from 3 to 12 ring members; and (b) C 1-8 hydrocarbyl groups optionally substituted by one or more substituents selected from hydroxy, oxo, halogen, cyano, amino, mono- or di- C 1-4 hydrocarbylamino, and carbocyclic and heterocyclic groups having from 3 to 12 ring members, wherein one or more carbon atoms of the C 1-8 hydrocarbyl group may optionally be replaced by O, S, SO, SO 2 , NR c , X 1 C(X 2 ), C(X 2 )X 1 or X 1 C(X 2 )X 1 , provided that when Y is O, a carbon atom adjacent to the group Y is not replaced by O; and R 6 is a heterocyclic group having from 4 to 12 ring members and containing at least one ring nitrogen atom through which R 6 is linked to the adjacent carbonyl group; wherein the carbocyclic and heterocyclic groups of substituents R 5 and R 6 are each unsubstituted or substituted by one or more substituent groups R 7 as hereinbefore defined. Also provided are novel compounds, pharmaceutical compositions containing the compounds and methods for their preparation.

  本发明提供了一种化合物的使用，用于制造预防或治疗由p38 MAP激酶介导的疾病状态或病情的药物；该化合物由公式（I）定义：其中：R1和R2相同或不同，分别选自氢，C1-4烃基，卤素和氰基；X选自C═O，C═S，C（═O）NH，C（═S）NH，C（═O）O，C（═O）S，C（═S）O和C（═S）S；R3选自含有5至12个环成员的芳基和杂环芳基基团，芳基和杂环芳基基团均未取代或取代了一个或多个取代基R7，所述取代基R7选自卤素，羟基，三氟甲基，氰基，硝基，羧基，氨基，碳环和含有3至12个环成员的杂环基团；Ra-Rb基团，其中Ra为键，0，CO，X1C（X2），C（X2）X1，X1C（X2）X1，S，SO，SO2，NRc，SO2NRc或NRcSO2；Rb选自氢，含有3至7个环成员的碳环和杂环基团，以及C1-8烃基，可选地取代一个或多个取代基，所述取代基选自羟基，氧代基，卤素，氰基，硝基，氨基，单或双C1-4烃基氨基，碳环和含有3至12个环成员的杂环基团，其中C1-8烃基的一个或多个碳原子可以选为O，S，SO，SO2，NRc，X1C（X2），C（X2）X1或X1C（X2）X1；X1为O，S或NRc，X2为═O，═S或═NRc；Rc为氢或C1-4烃基；R4为基团YR5或基团R6；Y选自NH，O或S；R5选自（a）含有3至12个环成员的碳环和杂环基团；和（b）可选地取代一个或多个取代基的C1-8烃基，所述取代基选自羟基，氧代基，卤素，氰基，氨基，单或双C1-4烃基氨基，以及含有3至12个环成员的碳环和杂环基团，其中C1-8烃基的一个或多个碳原子可以选为O，S，SO，SO2，NRc，X1C（X2），C（X2）X1或X1C（X2）X1，但当Y为O时，与基团Y相邻的碳原子不被O取代；R6为含有4至12个环成员的杂环基团，且通过至少一个环氮原子与相邻的羰基基团连接，其中取代基R5和R6的碳环和杂环基团均未取代或取代了一个或多个取代基R7，如前所述。还提供了新的化合物，含有该化合物的制药组合物以及其制备方法。
• 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS
  申请人：Novartis AG

  公开号：EP1608647B1

  公开（公告）日：2008-01-09
• US8017608B2
  申请人：——

  公开号：US8017608B2

  公开（公告）日：2011-09-13
• Kazakov,B.Ya.; Postovskii,I.Ya., Doklady Chemistry, 1960, vol. 134, p. 1077 - 1081
  作者：Kazakov,B.Ya.、Postovskii,I.Ya.

  DOI：——

  日期：——