5-isopropyl-3-methyl-3H-benzooxazol-2-one | 31554-76-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 5-isopropyl-3-methyl-3H-benzooxazol-2-one
• 英文别名: 3-Methyl-5-propan-2-yl-1,3-benzoxazol-2-one
• CAS: 31554-76-4
• 化学式: C₁₁H₁₃NO₂
• 分子量: 191.23
• InChiKey: PAPQRNYQRDMUPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5-Isopropyl-benzoxazolinon 、 硫酸二甲酯 在 sodium hydroxide 作用下， 生成 5-isopropyl-3-methyl-3H-benzooxazol-2-one
  参考文献：
  名称：

  Lespagnol,C. et al., Bulletin de la Societe Chimique de France, 1971, p. 552 - 556

  摘要：

  DOI：

文献信息

• UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS
  申请人：ALLEN Jennifer R.

  公开号：US20110306587A1

  公开（公告）日：2011-12-15

  Unsaturated nitrogen heterocyclic compounds of formula (I): as defined in the specification, compositions containing them, and processes for preparing such compounds. Provided herein also are methods of treating disorders or diseases treatable by inhibition of PDE10, such as obesity, Huntington's Disease, non-insulin dependent diabetes, schizophrenia, bipolar disorder, obsessive-compulsive disorder, and the like.

  式(I)的不饱和氮杂环化合物，如本说明书中所定义的，含有它们的组合物以及制备这种化合物的方法。本文还提供了治疗可通过抑制PDE10治疗的疾病或疾病的方法，例如肥胖症，亨廷顿病，非胰岛素依赖性糖尿病，精神分裂症，双相情感障碍，强迫症等。
• AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY
  申请人：Shenzhen Targetrx, Inc.

  公开号：EP3492462A1

  公开（公告）日：2019-06-05

  An amino pyrimidine compound for inhibiting protein tyrosine kinase activity, a pharmaceutical composition thereof, preparation therefor, and an application hereof. Specifically, an amino pyrimidine compound represented by formula (I), R1, R2, L, Y, R6, W, A, m, and n being defined in the specification, and a pharmaceutically acceptable salt, a stereoisomer, a solvent compound, a hydrate, a polymorphism, a prodrug, or an isotope variant thereof. The compound can be used for treating and/or preventing protein tyrosine kinase-related diseases such as cell proliferative diseases, cancers, and immune diseases.

  一种抑制蛋白酪氨酸激酶活性的氨基嘧啶化合物、其药物组合物、制剂及其应用。具体地说，一种由式（I）代表的氨基嘧啶化合物，R1、R2、L、Y、R6、W、A、m 和 n 在说明书中定义，以及其药学上可接受的盐、立体异构体、溶剂化物、水合物、多晶型、原药或同位素变体。该化合物可用于治疗和/或预防蛋白酪氨酸激酶相关疾病，如细胞增殖性疾病、癌症和免疫疾病。
• Substituted bicyclic heterocyclic compounds
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US10851108B2

  公开（公告）日：2020-12-01

  Disclosed are compounds of Formula (I), or a salt thereof, wherein: X is CR4 or N; Y is CR4 or N, provided that Y is N only if X is N; R1 is Formulae (A) or (B); each W is independently NR1b or O; Z is a bond or CHR1d; and R1, R2, R3, R4, L1, R1a, R1b, R1c, and n are defined herein. Also disclosed are methods of using such compounds as inhibitors of ROMK, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating cardiovascular diseases.

  公开了式(I)化合物或其盐，其中：X是CR4或N；Y是CR4或N，但只有当X是N时Y才是N；R1是式(A)或(B)；每个W独立地是NR1b或O；Z是键或CHR1d；以及R1、R2、R3、R4、L1、R1a、R1b、R1c和n在本文中定义。还公开了使用此类化合物作为 ROMK 抑制剂的方法，以及包含此类化合物的药物组合物。这些化合物可用于治疗心血管疾病。
• SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13
  申请人：Endoh Takeshi

  公开号：US20100099676A1

  公开（公告）日：2010-04-22

  A compound represented by the general formula (I): wherein R 1 is wherein R 26 and R 28 are each independently lower alkyloxy and the like; n 1 is an integer of 0 to 3; Z is a optionally substituted C1-C5 alkynylene which may be interrupted with a substituent selected from Substituent group a and the like; A is a group represented by the formula: wherein R 6 and R 7 are each independently lower alkyl and the like; m and n are each independently 0, 1, or 2; R 2 is a hydrogen atom and the like; R 3 is optionally substituted lower alkyl and the like; R 4 is a hydrogen atom; or R 3 and R 4 may be taken together with an adjacent carbon atom to from a ring; R 5 is hydroxyl and the like, or an optically active isomer, a pharmaceutically acceptable salt or a solvate thereof.
• SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20190127380A1

  公开（公告）日：2019-05-02

  Disclosed are compounds of Formula (I), or a salt thereof, wherein: X is CR 4 or N; Y is CR 4 or N, provided that Y is N only if X is N; R 1 is Formulae (A) or (B); each W is independently NR 1b or O; Z is a bond or CHR 1d ; and R 1 , R 2 , R 3 , R 4 , L 1 , R 1a , R 1b , R 1c , and n are defined herein. Also disclosed are methods of using such compounds as inhibitors of ROMK, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating cardiovascular diseases.