5-(1-甲基-丁基)-1,3-二氢-苯并咪唑-2-酮 | 100253-31-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 5-(1-甲基-丁基)-1,3-二氢-苯并咪唑-2-酮
• 英文名称: 5-(1-methyl-butyl)-1,3-dihydro-benzimidazol-2-one
• 英文别名: 5-(1-Methyl-butyl)-1,3-dihydro-benzimidazol-2-on；5-Pentan-2-yl-1,3-dihydrobenzimidazol-2-one
• CAS: 100253-31-4
• 化学式: C₁₂H₁₆N₂O
• 分子量: 204.272
• InChiKey: JKUJJUBKBBYATE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  光气 、 alkaline earth salt of/the/ methylsulfuric acid 在 盐酸 作用下， 生成 5-(1-甲基-丁基)-1,3-二氢-苯并咪唑-2-酮
  参考文献：
  名称：

  Synthesis of Some Substituted Benzoxazolones

  摘要：

  DOI：

  10.1021/ja01540a038

文献信息

• [EN] METHODS AND COMPOSITIONS FOR TARGETING TREGS USING CCR8 INHIBITORS<br/>[FR] MÉTHODES ET COMPOSITIONS POUR CIBLER DES TREG AU MOYEN D'INHIBITEURS DE CCR8
  申请人：NANJING IMMUNOPHAGE BIOTECH CO LTD

  公开号：WO2022000443A1

  公开（公告）日：2022-01-06

  Provided herein are compounds of Formula (I) which can be used as CCR8 inhibitors, which can be used as treatment or prevention of cancer using CCR8 inhibitors targeted tumor specific T regulatory cells.

  本文提供的是Formula (I)的化合物，可用作CCR8抑制剂，可用作使用CCR8抑制剂靶向肿瘤特异性T调节细胞的癌症治疗或预防。
• Therapeutic Molecules and Methods-1
  申请人：Morand Eric Francis

  公开号：US20100323999A1

  公开（公告）日：2010-12-23

  Methods of inhibiting the cytokine or biological activity of Macrophage Migration Inhibitory Factor (MIF) comprising contacting MIF with a compound of formula (I) as defined herein, is provided. The invention also relates to methods of treating diseases or conditions where MIF cytokine or biological activity is implicated comprising administration of compounds of formula (I), either alone or as part of a combination therapy. Novel heterocyclic compounds are also provided for.

  提供一种抑制巨噬细胞迁移抑制因子（MIF）细胞因子或生物活性的方法，包括将MIF与公式（I）所定义的化合物接触。本发明还涉及治疗与MIF细胞因子或生物活性有关的疾病或病况的方法，包括单独或作为联合治疗的一部分给予公式（I）化合物。还提供了新型杂环化合物。
• Heteroaryl substituted pyrrolotriazine amine compounds as PI3K inhibitors
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US10023576B2

  公开（公告）日：2018-07-17

  Disclosed are compounds of Formula (I); or a salt thereof; wherein Qi is (i) Cl, Br, I, —CN, —CH3, or —CF3; or (ii) pyrazole, triazole, or pyridinyl, each substituted with R1; Q2 is pyridinyl, indazolyl, isoquinolinyl, or benzo[d]imidazolyl substituted with R2 and R3; and R1, R2, and R3 are defined herein. Also disclosed are methods of using such compounds as modulators of PI3K, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing inflammatory and autoimmune diseases.

  公开了式(I)化合物；或其盐；其中Qi是(i)Cl、Br、I、-CN、-CH3或-CF3；或(ii)吡唑、三唑或吡啶基，各自被R1取代；Q2是吡啶基、吲唑基、异喹啉基或被R2和R3取代的苯并[d]咪唑基；R1、R2和R3在本文中定义。还公开了使用此类化合物作为 PI3K 调节剂的方法，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、预防或减缓炎症性和自身免疫性疾病。
• HETEROARYL SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20170355698A1

  公开（公告）日：2017-12-14

  Disclosed are compounds of Formula (I); or a salt thereof; wherein Qi is (i) Cl, Br, I, —CN, —CH 3 , or —CF 3 ; or (ii) pyrazole, triazole, or pyridinyl, each substituted with R 1 ; Q 2 is pyridinyl, indazolyl, isoquinolinyl, or benzo[d]imidazolyl substituted with R 2 and R 3 ; and R 1 , R 2 , and R 3 are defined herein. Also disclosed are methods of using such compounds as modulators of PI3K, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing inflammatory and autoimmune diseases.
• TETRAHYDROPYRAZOLOPYRIMIDINE COMPOUNDS
  申请人：Eisai R&D Management Co., Ltd.

  公开号：US20200347050A1

  公开（公告）日：2020-11-05

  Embodiments of the disclosure relate to tetrahydropyrazolopyrimidine compounds that act as antagonists or inhibitors for Toll-like receptors 7 and/or 8, and their use in pharmaceutical compositions effective for treatment of systemic lupus erythematosus (SLE) and lupus nephritis.