2-氨基-4-甲氧基-5-(1,3-恶唑-5-基)苯甲酸 | 371251-38-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-氨基-4-甲氧基-5-(1,3-恶唑-5-基)苯甲酸
• 英文名称: 2-amino-4-methoxy-5-oxazol-5-yl-benzoic acid
• 英文别名: 2-Amino-4-methoxy-5-(5-oxazolyl)benzoic Acid；2-Amino-4-methoxy-5-(1,3-oxazol-5-yl)benzoic acid
• CAS: 371251-38-6
• 化学式: C₁₁H₁₀N₂O₄
• 分子量: 234.211
• InChiKey: OETGAUDFYOFVBS-UHFFFAOYSA-N

物化性质

• 沸点：
  410.1±45.0 °C(Predicted)
• 密度：
  1.381±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  98.6
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-氨基-4-甲氧基-5-(1,3-恶唑-5-基)苯甲酸 在 对甲苯磺酸 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 生成 tert-butyl-7'-methoxy-3'-methyl-6'-(1,3-oxazol-5-yl)-4'-oxo-3',4'-dihydro-1H,1'H-spiro[pyrrolidine-3,2'-quinazoline]-1-carboxylate
  参考文献：
  名称：

  Novel 7-methoxy-6-oxazol-5-yl-2,3-dihydro-1H-quinazolin-4-ones as IMPDH inhibitors

  摘要：

  The synthesis and biological activity of a novel series of 7-methoxy-6-oxazol-5-y1-2,3-dihydro-1H-quinazolin-4-ones are described. Some of these compounds were found to be potent inhibitors of inosine 5'-monophosphate dehydrogenase type 11 (IMPDH II). (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.06.108

文献信息

• Heterocycles that are inhibitors of IMPDH enzyme
  申请人：——

  公开号：US20020040022A1

  公开（公告）日：2002-04-04

  Compounds of the formula 1 wherein X 1 is C(O), —S(O)—, or —S(O) 2 —; X 2 is CR 3 or N; X 3 is —NH—, —O—, or —S—; X 4 is CR 4 or N; X 5 is CR 5 or N; and X 6 is CR 6 or N are useful as inhibitors of IMPDH enzyme. Thus, these compounds can be used as therapeutic agents for IMPDH-associated disorders.

  公式1中的化合物，其中X1是C(O)、—S(O)—或—S(O)2—；X2是CR3或N；X3是—NH—、—O—或—S—；X4是CR4或N；X5是CR5或N；X6是CR6或N，可用作IMPDH酶的抑制剂。因此，这些化合物可作为治疗IMPDH相关疾病的治疗剂。
• [EN] QUINAZOLINONE DERIVATIVES<br/>[FR] DERIVES DE QUINAZOLINONE
  申请人：CELLTECH R&D LTD

  公开号：WO2004018462A1

  公开（公告）日：2004-03-04

  A compound of formula (1): wherein: X is an oxygen or sulfur atom; R1 is an aliphatic, cycloaliphatic or cycloalkyl-alkyl-group; R2 is an optionally substituted heteroaromatic group or a -CN group; R3 is a group -(Alk1)mL1(Alk2)nR6 in which m and n, which may be the same or different, is each zero or the integer 1, Alk1 and Alk2, which may be the same or different, is each an optionally substituted aliphatic or heteroaliphatic chain, L1 is a covalent bond or a linker atom or group and R6 is a hydrogen atom or an optionally substituted cycloaliphatic, heterocycloaliphatic, aromatic or heteroaromatic group; R4 is a group -(Alk3)pL2(Alk4)qR7 in which p and q, which may be the same or different, is each zero or the integer 1, Alk3 and Alk4, which may be the same or different, is each an optionally substituted aliphatic or heteroaliphatic chain, L2 is a covalent bond or a linker atom or group and R7 is a hydrogen or halogen atom or a -CN group or an optionally substituted cycloaliphatic, heterocycloaliphatic, aromatic or heteroaromatic group; R5 is a hydrogen atom or an optionally substituted aliphatic group; and the salts, solvates, hydrates, tautomers, isomers or N-oxides thereof. The compounds of the present invention are potent inhibitors of IMPDH.

  翻译结果如下： 公式(1)的化合物：其中：X是氧原子或硫原子；R1是脂肪族、环脂肪族或环烷基-烷基团；R2是可选地取代的杂芳基团或-CN基团；R3是组-(Alk1)mL1(Alk2)nR6，其中m和n相同或不同，都是零或整数1，Alk1和Alk2相同或不同，都是可选地取代的脂肪族或杂脂肪族链，L1是共价键或连接原子或团，R6是氢原子或可选地取代的环脂肪族、杂环脂肪族、芳香族或杂芳族团；R4是组-(Alk3)pL2(Alk4)qR7，其中p和q相同或不同，都是零或整数1，Alk3和Alk4相同或不同，都是可选地取代的脂肪族或杂脂肪族链，L2是共价键或连接原子或团，R7是氢或卤素原子或-CN基团或可选地取代的环脂肪族、杂环脂肪族、芳香族或杂芳族团；R5是氢原子或可选地取代的脂肪族团；以及其盐、溶剂化物、水合物、互变异构体、同分异构体或N-氧化物。本发明的化合物是IMPDH的强效抑制剂。
• HETEROCYCLES THAT ARE INHIBITORS OF IMPDH ENZYME
  申请人：Bristol-Myers Squibb Co.

  公开号：EP1276739A2

  公开（公告）日：2003-01-22
• US6919335B2
  申请人：——

  公开号：US6919335B2

  公开（公告）日：2005-07-19
• [EN] HETEROCYCLES THAT ARE INHIBITORS OF IMPDH ENZYME<br/>[FR] HETEROCYCLES UTILES EN TANT QU'INHIBITEURS DE L'ENZYME IMPDH
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2001081340A2

  公开（公告）日：2001-11-01

  Compounds of formula (I) wherein X1 is C(O), -S(O)-, or -S(O)¿2?-; X?2 is CR3¿ or N; X3 is -NH-, -O-, or -S-; X?4 is CR4¿ or N; X?5 is CR5¿ or N; and X?6 is CR6¿ or N are useful as inhibitors of IMPDH enzyme. Thus, these compounds can be used as therapeutic agents for IMPDH- associated disorders.