6-iodo-2,2-dimethylchroman-4-one | 1260682-37-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 6-iodo-2,2-dimethylchroman-4-one
• 英文别名: 6-iodo-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one；6-iodo-2,2-dimethyl-3H-chromen-4-one
• CAS: 1260682-37-8
• 化学式: C₁₁H₁₁IO₂
• 分子量: 302.112
• InChiKey: AJEQHYIWNKYEHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-iodo-2,2-dimethylchroman-4-one 在 对甲苯磺酸 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 38.0h， 生成 6-iodo-2,2-dimethyl-4-(p-tolyl)-2H-chromene
  参考文献：
  名称：

  开发视黄酸受体 α 选择性拮抗剂作为男性避孕新药的策略

  摘要：

  本文报道了使用反式活化测定法基于二氢萘和铬支架的一系列 26 种视黄酸类似物的合成和体外评价。铬酰胺类似物 21 是从该系列中鉴定出的最有效和选择性的视黄酸受体α拮抗剂。体外评估表明，21 在体内具有良好的理化性质和良好的药代动力学 PK 特征，具有显着的口服生物利用度、代谢稳定性和睾丸暴露。在小鼠模型中评估了化合物 21 对精子发生和生育能力破坏的影响。低剂量口服化合物 21 显示出可重复的特征，尽管对精子发生的影响适中，但在交配研究中未观察到对生育能力的影响。提高剂量和延长给药持续时间不能增强对精子发生的抑制。因此，21 岁可能不是进一步追求对男性生育能力影响的好人选。

  DOI：

  10.1016/j.ejmech.2023.115821
• 作为产物：
  描述：

  6-氨基-2,2-二甲基-苯并二氢吡喃-4-酮 在 sodium nitrite 、 potassium iodide 作用下， 以 硫酸 、 水 为溶剂， 反应 1.0h， 以82%的产率得到6-iodo-2,2-dimethylchroman-4-one
  参考文献：
  名称：

  Kamat, Vijayendra P.; Asolkar, Ratnakar N.; Kirtany, Janardan K., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2012, vol. 51, # 12, p. 1761 - 1762

  摘要：

  DOI：

文献信息

• [EN] TRICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS<br/>[FR] COMPOSÉS TRICYCLIQUES EN TANT QU'INHIBITEURS DE MPGES-1
  申请人：GLENMARK PHARMACEUTICALS SA

  公开号：WO2012110860A1

  公开（公告）日：2012-08-23

  The present invention relates to tricyclic compounds of formula (I) or pharmaceutically acceptable salt thereof as mPGES-1 inhibitors. These compounds are inhibitors of the microsomal prostaglandin E synthase- 1 (mPGES-1) enzyme and are therefore useful in the treatment of pain and/or inflammation from a variety of diseases or conditions, such as asthama, osteoarthritis, rheumatoid arthritis, acute or chronic pain and neurodegenerative diseases. (I).

  本发明涉及式(I)的三环化合物或其药用可接受的盐，作为mPGES-1抑制剂。这些化合物是微粒体前列腺素E合成酶-1（mPGES-1）酶的抑制剂，因此在治疗各种疾病或症状引起的疼痛和/或炎症方面具有用处，如哮喘、骨关节炎、类风湿性关节炎、急性或慢性疼痛和神经退行性疾病。
• INK COMPOSITION
  申请人：UMEBAYASHI Tsutomu

  公开号：US20090087576A1

  公开（公告）日：2009-04-02

  An ink composition is provided that includes compound A represented by Formula (I) below, compound B represented by Formula (II) below, and a polymerizable compound, wherein, in Formula (I), X denotes O, S, or NR a , n1 denotes 0 or 1, R a , R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , and R 10 independently denote a hydrogen atom or a monovalent substituent, and two of R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , and R 8 that are adjacent may be linked to each other to form a ring, and in Formula (II), X denotes O, S, or NR b , n2 denotes 0 or 1, R b , R 11 , R 12 , R 13 , R 14 , R 15 , R 16 , R 17 , and R 18 independently denote a hydrogen atom or a monovalent substituent, and two of R 11 , R 12 , R 13 , and R 14 that are adjacent may be linked to each other to form a ring. There is also provided an inkjet recording method comprising (a) a step of discharging the ink composition onto a recording medium, and (b) a step of curing the ink composition by irradiating the discharged ink composition with actinic radiation.
• PHOTO-CURABLE COMPOSITION, INK COMPOSITION, AND INKJET RECORDING METHOD USING THE INK COMPOSITION
  申请人：MATSUMURA Tokihiko

  公开号：US20100013899A1

  公开（公告）日：2010-01-21

  A photo-curable composition including (A) a cationic polymerizable compound, (B) a sensitizing colorant represented by the following formula (I), and (C) an onium salt; an ink composition containing the photo-curable composition; an inkjet recording method using the ink composition are provided, and in formula (I), X represents O, S or NR, R represents a hydrogen atom, an alkyl group, or an acyl group, n represents 0 or 1, each of R 1 to R 8 independently represents a hydrogen atom, or a monovalent substituent.
• INK-JET INK COMPOSITION, AND INK-JET RECORDING METHOD
  申请人：MATSUMURA Tokihiko

  公开号：US20100015352A1

  公开（公告）日：2010-01-21

  An ink-jet ink composition containing the following components of (a), (b), and (c), and having a viscosity at 25° C. in the range of from 5 mPa·s to 100 mPa·s, (a) a polymerizable compound, (b) a photopolymerization initiator, and (c) a sensitizer represented by the following formula (i): in the Formula (i), X represents O, S or NR; n represents an integer of 0 or 1; R represents a hydrogen atom, an alkyl group or an acyl group; each of R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 8 independently represents a hydrogen atom or a monovalent substituent, provided that any neighboring two of R 1 , R 2 , R 3 and R 4 may be bonded to each other to form a ring, and R 5 and R 7 or R 8 , or R 6 and R 7 or R 8 , may be bonded to each other to form an aliphatic ring but do not form an aromatic ring.
• CONTRACEPTIVE COMPOUNDS AND METHODS
  申请人：Regents of the University of Minnesota

  公开号：US20220388993A1

  公开（公告）日：2022-12-08

  The invention provides a compound of formula (I): or a pharmaceutically acceptable salt, stereoisomer, solvate, or prodrug thereof, wherein R 1 -R 6 have any of the values described in the specification, as well as compositions comprising a compound of formula (I). The compounds are useful as contraceptive agents.