2,2-二甲基-4-氧代色满-7-甲腈 | 130200-02-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 中文名称: 2,2-二甲基-4-氧代色满-7-甲腈
• 英文名称: 7-cyano-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-4-one
• 英文别名: 2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-carbonitrile；2,2-dimethyl-4-oxochroman-7-carbonitrile；2,2-dimethyl-4-oxo-3H-chromene-7-carbonitrile
• CAS: 130200-02-1
• 化学式: C₁₂H₁₁NO₂
• 分子量: 201.225
• InChiKey: CDRFBUBCMVKJFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

反应信息

• 作为反应物：
  描述：

  2,2-二甲基-4-氧代色满-7-甲腈 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以97%的产率得到7-(aminomethyl)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-ol
  参考文献：
  名称：

  [EN] COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES
  [FR] COMPOSÉS, SELS CORRESPONDANTS ET MÉTHODES POUR LE TRAITEMENT DE MALADIES

  摘要：

  本公开涉及按照式（I）的化合物，用于治疗疾病。

  公开号：

  WO2019040107A1
• 作为产物：
  描述：

  4-溴-2-羟基苯乙酮 在 哌啶 作用下， 以 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 40.0h， 生成 2,2-二甲基-4-氧代色满-7-甲腈
  参考文献：
  名称：

  Relaxant activity of 4-amido-3,4-dihydro-2H-1-benzopyran-3-ols and 4-amido-2H-1-benzopyrans on guinea pig isolated trachealis

  摘要：

  A series of 4-amido-3,4-dihydro-2H-1-benzopyran-3-ols and 4-amido-2H-1-benzopyrans related to the potassium channel activator cromakalim have been prepared and evaluated for their relaxant activity in guinea pig isolated tracheal spirals. Several analogues show enhanced relaxant activity relative to cromakalim in this preparation and the rank order of potency for those substituents investigated at C-6 was CF3 greater than CN greater than C2H5 greater than aza greater than or equal to CH3. One compound, trans-3,4-dihydro-2,2-dimethyl-4-(2-oxopiperidin-1-yl)-7-(trifluor omethyl)-2H- 1-benzopyran-3-ol (24), was resolved into its two enantiomers and the activity was shown to reside essentially in the (+)-isomer, adding further support to the suggestion that the smooth muscle receptor for these potassium channel activators is stereoselective.

  DOI：

  10.1021/jm00173a019

文献信息

• Compounds, salts thereof and methods for treatment of diseases
  申请人：ACADIA PHARMACEUTICALS INC.

  公开号：US11345693B2

  公开（公告）日：2022-05-31

  The present disclosure relates to compounds according to Formula (I), useful for treating diseases.

  本公开涉及可用于治疗疾病的式 (I) 化合物。
• 벤조피란 유도체 및 이의 용도
  申请人：(주)스파크바이오파마

  公开号：KR20240028993A

  公开（公告）日：2024-03-05

  본 발명은 암질환을 치료하는 의약품의 제조에 유용한 신규한 벤조피란 유도체에 관한 것으로서, 보다 상세하게는 대식세포 억제 효과를 가지는 저분자 물질로서 이를 이용하여 항암치료의 의약품 제조에 유용한 신규한 벤조피란 유도체에 관한 것이다. 상기 의약품은 특히 면역 대식세포의 분화를 억제함으로써 면역체계를 자극하여 면역 관련된 암질환의 치료에 유용하다.

  本发明涉及一种用于制造治疗癌症的药物的新型苯并嘧啶衍生物，其中更具体地说，是具有抗巨噬细胞作用的低分子量物质，利用该物质来制造用于治疗癌症的药物的新型苯并嘧啶衍生物。所述药物通过抑制免疫性巨噬细胞的分化从而刺激免疫系统，因此在治疗与免疫相关的癌症方面是有用的。
• BUCKLE, DEREK R.;ARCH, JONATHON R. S.;FENWICK, ASHLEY E.;HOUGE-FRYDRYCH, +, J. MED. CHEM., 33,(1990) N1, C. 3028-3034
  作者：BUCKLE, DEREK R.、ARCH, JONATHON R. S.、FENWICK, ASHLEY E.、HOUGE-FRYDRYCH, +

  DOI：——

  日期：——
• COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES
  申请人：Acadia Pharmaceuticals Inc.

  公开号：EP3672954A1

  公开（公告）日：2020-07-01
• [EN] COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES<br/>[FR] COMPOSÉS, SELS CORRESPONDANTS ET MÉTHODES POUR LE TRAITEMENT DE MALADIES
  申请人：ACADIA PHARM INC

  公开号：WO2019040107A1

  公开（公告）日：2019-02-28

  The present disclosure relates to compounds according to Formula (I), useful for treating diseases.

  本公开涉及按照式（I）的化合物，用于治疗疾病。