N-(3-Cyanophenyl)-N'-[3-methoxy-4-(5-oxazolyl)phenyl]urea | 441756-44-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(3-Cyanophenyl)-N'-[3-methoxy-4-(5-oxazolyl)phenyl]urea
• 英文别名: 1-(3-cyanophenyl)-3-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]urea
• CAS: 441756-44-1
• 化学式: C₁₈H₁₄N₄O₃
• 分子量: 334.334
• InChiKey: XEJFOCAUWUBOIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  100
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  异氰酸间氰基苯酯 、 3-甲氧基-4-(1,3-噁唑)苯胺 以 二氯甲烷 为溶剂， 反应 20.0h， 以to provide 1E (1.57 g, 89% yield) as a yellow solid的产率得到N-(3-Cyanophenyl)-N'-[3-methoxy-4-(5-oxazolyl)phenyl]urea
  参考文献：
  名称：

  Amino-substituted compounds useful as inhibitors of impdh enzyme

  摘要：

  本发明揭示了一种化合物，其具有公式（I），可用于治疗或预防与IMPDH相关的疾病，如移植排斥和自身免疫性疾病，其中X为—C（O）—，—C（S）—或—S（O）2—; A为可选择取代的饱和或不饱和单环或双环环；B是具有至少一个取代基Q的饱和或不饱和单环或双环环系统，所述取代基Q选择自R7和R8；R7选择自（C0-C6）烷基，（C2-C6）烯基和（C2-C6）炔基，且R7被取代；R8选择自（C0-C6）烷基，（C2-C6）烯基和（C2C6）炔基，且R8被取代，且Z1至Z5如规范中所定义。

  公开号：

  US20020183315A1

文献信息

• Inhibitors of IMPDH enzyme
  申请人：——

  公开号：US06420403B1

  公开（公告）日：2002-07-16

  The present invention discloses the identification of the novel inhibitors of IMPDH (inosine-5′-monophosphate dehydrogenase). The compounds and pharmaceutical compositions disclosed herein are useful in treating or preventing IMPDH-associated disorders, such as transplant rejection and autoimmune diseases.

  本发明揭示了IMPDH（次黄嘌呤-5'-单磷酸脱氢酶）的新型抑制剂的识别。本文所披露的化合物和药物组合物在治疗或预防与IMPDH相关的疾病方面具有用途，如移植排斥和自身免疫疾病。
• Amino-substituted compounds useful as inhibitors of impdh enzyme
  申请人：——

  公开号：US20020183315A1

  公开（公告）日：2002-12-05

  The present invention discloses compounds useful in treating or preventing IMPDH-associated disorders, such as transplant rejection and autoimmune diseases, having the formula (I), 1 wherein X is —C(O)—, —C(S)—, or —S(O) 2 —; A is an optionally-substituted saturated or unsaturated monocyclic or bicyclic ring; B is a saturated or unsaturated monocyclic or bicyclic ring system having at least one substituent Q which is selected from R 7 and R 8 ; R 7 is selected from (C 0 -C 6 )alkyl, (C 2 -C 6 )alkenyl and (C 2 -C 6 )alkynyl and R 7 is substituted with 2 R 8 is selected from (C 0 -C 6 )alkyl, (C 2 -C 6 )alkenyl and (C 2 C 6 )alkynyl and R 8 is substituted with 3 and Z 1 through Z 5 are as defined in the specification.

  本发明揭示了一种化合物，其具有公式（I），可用于治疗或预防与IMPDH相关的疾病，如移植排斥和自身免疫性疾病，其中X为—C（O）—，—C（S）—或—S（O）2—; A为可选择取代的饱和或不饱和单环或双环环；B是具有至少一个取代基Q的饱和或不饱和单环或双环环系统，所述取代基Q选择自R7和R8；R7选择自（C0-C6）烷基，（C2-C6）烯基和（C2-C6）炔基，且R7被取代；R8选择自（C0-C6）烷基，（C2-C6）烯基和（C2C6）炔基，且R8被取代，且Z1至Z5如规范中所定义。
• US6420403B1
  申请人：——

  公开号：US6420403B1

  公开（公告）日：2002-07-16
• US6617323B2
  申请人：——

  公开号：US6617323B2

  公开（公告）日：2003-09-09
• Amino-substituted compounds useful as inhibitors of IMPDH enzyme
  申请人：Bristol-Myers Squibb Co.

  公开号：US06617323B2

  公开（公告）日：2003-09-09

  The present invention discloses compounds useful in treating or preventing IMPDH-associated disorders, such as transplant rejection and autoimmune diseases, having the formula (I), wherein X is —C(O)—, —C(S)—, or —S(O)2—; A is an optionally-substituted saturated or unsaturated monocyclic or bicyclic ring; B is a saturated or unsaturated monocyclic or bicyclic ring system having at least one substituent Q which is selected from R7 and R8; R7 is selected from (C0-C6)alkyl, (C2-C6)alkenyl and (C2-C6)alkynyl and R7 is substituted with R8 is selected from (C0-C6)alkyl, (C2-C6)alkenyl and (C2-C6)alkynyl and R8 is substituted with and Z1 through Z5 are as defined in the specification.

  本发明公开了一种具有以下式子（I）的化合物，其有助于治疗或预防与IMPDH相关的疾病，如移植排斥和自身免疫性疾病，其中X为—C（O）—，—C（S）—或—S（O）2—; A为一个可选取代的饱和或不饱和的单环或双环环；B为具有至少一个取代基Q的饱和或不饱和的单环或双环系统，所述取代基Q选自R7和R8; R7选自（C0-C6）烷基，（C2-C6）烯基和（C2-C6）炔基，R7被取代，R8选自（C0-C6）烷基，（C2-C6）烯基和（C2-C6）炔基，R8被取代，Z1至Z5如规范中定义。