3-异丙基-1,2-恶唑-5-甲醛 | 121604-54-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-异丙基-1,2-恶唑-5-甲醛
• 中文别名: 5-异噻唑甲醛,3-(1-甲基乙基)-(9CI)；3-异丙基-异恶唑-5-甲醛
• 英文名称: 3-isopropylisoxazole-5-carbaldehyde
• 英文别名: 3-propan-2-yl-1,2-oxazole-5-carbaldehyde
• CAS: 121604-54-4
• 化学式: C₇H₉NO₂
• mdl: MFCD14702865
• 分子量: 139.154
• InChiKey: WUWQUXNKNVGYRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  3-异丙基-1,2-恶唑-5-甲醛 在 甲醇 、 sodium tetrahydroborate 、 甲基磺酰氯 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 5-(氯甲基)-3-异丙基异噁唑
  参考文献：
  名称：

  HYDROXYL PURINE COMPOUNDS AND USE THEREOF

  摘要：

  公开号：

  EP3299371B1
• 作为产物：
  描述：

  [3-(2-甲基-2-丙基)-1,2-恶唑-5-基]甲醇 以82%的产率得到
  参考文献：
  名称：

  KUEKENHOEHNER, THOMAS;GOETZ, NORBERT;THEOBALD, HANS;KNAUS, GUNTER H.

  摘要：

  DOI：

文献信息

• Ｔ-형 칼슘 채널에 활성을 가지는 피롤리딘 또는 피페리딘 화합물
  申请人：KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 한국과학기술연구원(319980077518) BRN ▼209-82-03522

  公开号：KR20200022710A

  公开（公告）日：2020-03-04

  본 발명은 Ｔ-형 칼슘 채널에 활성을 가지는 피롤리딘 또는 피페리딘 화합물에 대한 것으로, 더욱 자세하게는 본 발명에 따른 화학식 1로 표시되는 피롤리딘 또는 피페리딘 화합물은, T-형 칼슘채널에 대하여 우수한 길항작용을 가지고 있어서, 간질, 고혈압 등의 뇌질환, 협심증 등의 심장질환, 만성 통증, 신경성 통증 등의 통증질환, 또는 암과 관련 질병의 예방 또는 치료제로서 유용하게 사용될 수 있다.

  本发明涉及对T型钙通道具有活性的吡啶或哌啶化合物，更具体地说，根据本发明，化学式1所示的吡啶或哌啶化合物对T型钙通道具有优异的抑制作用，可用于治疗或预防癫痫、高血压等脑部疾病，心脏疾病如心绞痛，慢性疼痛，神经性疼痛等疼痛性疾病，以及与癌症相关的疾病。
• Construction of Two Vicinal Quaternary Carbons by Asymmetric Allylic Alkylation: Total Synthesis of Hyperolactone C and (−)-Biyouyanagin A
  作者：Chao Du、Liqi Li、Ying Li、Zhixiang Xie

  DOI：10.1002/anie.200902908

  日期：2009.10.5

  Call on triple A: Palladium‐catalyzed asymmetric allylic alkylation (Pd‐AAA; see scheme) has enabled a concise and efficient synthesis of hyperolactone C and (−)‐biyouyanagin A in only six (20 % overall yield) and seven (8 % overall yield) steps, respectively. The enantiomers of these natural products were also prepared by exploiting the same methodology.

  呼吁三A：钯催化的不对称烯丙基烷基化（Pd-AAA;参见方案）使得高内酯C和（-）-双油烟精A的简明而高效的合成仅六种（总收率20％）和七种（8％）总产量）步骤。这些天然产物的对映异构体也采用相同的方法制备。
• Herbicidal tetrahydropyran-2,4-diones
  申请人：BASF Aktiengesellschaft

  公开号：US05389602A1

  公开（公告）日：1995-02-14

  Tetrahydropyran-2,4-diones of the formula ##STR1## where R.sup.1 is hydrogen; C.sub.1 -C.sub.6 -alkyl; C.sub.2 -C.sub.6 -alkenyl; C.sub.2 -C.sub.6 -alkynyl; substituted or unsubstituted phenyl; C.sub.1 -C.sub.6 -alkylsulfonyl; substituted or unsubstituted benzenesulfonyl; C.sub.3 -C.sub.6 -alkenylcarbonyl; or substituted or unsubstituted benzoyl; R.sup.2 is C.sub.1 -C.sub.6 -alkyl; C.sub.2 -C.sub.6 -alkenyl; C.sub.2 -C.sub.6 -alkynyl; C.sub.1 -C.sub.6 -haloalkyl; or C.sub.3 -C.sub.6 -cycloalkyl; A, B and D are each .dbd.CH-- or .dbd.N--; E is oxygen, sulfur or --NR.sup.7 --. R.sup.7 is hydrogen; C.sub.1 -C.sub.6 -alkyl; C.sub.2 -C.sub.6 -alkenyl; C.sub.2 -C.sub.6 -alkanoyl; substituted or unsubstituted benzoyl; benzyl; or substituted or unsubstituted phenyl; X is halogen; C.sub.1 -C.sub.6 -alkyl; substituted or unsubstituted C.sub.3 -C.sub.6 -cycloalkyl; C.sub.2 -C.sub.6 -alkenyl; C.sub.2 -C.sub.6 -alkynyl; C.sub.1 -C.sub.6 -alkoxy; C.sub.2 -C.sub.6 -alkenyloxy; C.sub.1 -C.sub.6 -alkylthio; C.sub.1 -C.sub.6 -alkoxycarbonyl; C.sub.2 -C.sub.6 -alkanoyloxy; substituted or unsubstituted benzyloxy; substituted or unsubstituted NR.sup.5 R.sup.6 ; formyl; C.sub.2 -C.sub.6 -alkanoyl or its imine, oxime or Schiff's base; or substituted or unsubstituted phenyl; n is 0, 1 or 2; R.sup.3, R.sup.4, R.sup.5 and R.sup.6 are each hydrogen, C.sub.1 -C.sub.6 -alkyl, phenyl, C.sub.2 -C.sub.6 -alkanoyl, benzoyl and/or benzyl; Z is oxygen or --NOR.sup.8 ; and R.sup.8 is substituted or unsubstituted C.sub.1 -C.sub.6 -alkyl; C.sub.2 -C.sub.6 -alkenyl; C.sub.2 -C.sub.6 -alkynyl; C.sub.2 -C.sub.6 -haloalkynyl; or substituted or unsubstituted thenyl; their environmentally compatible salts, and agents containing them.

  Tetrahydropyran-2,4-二酮的结构式为##STR1##其中R.sup.1是氢；C.sub.1 -C.sub.6 -烷基；C.sub.2 -C.sub.6 -烯基；C.sub.2 -C.sub.6 -炔基；取代或未取代苯基；C.sub.1 -C.sub.6 -烷基磺酰基；取代或未取代苯磺酰基；C.sub.3 -C.sub.6 -烯基羰基；或取代或未取代苯甲酰基；R.sup.2是C.sub.1 -C.sub.6 -烷基；C.sub.2 -C.sub.6 -烯基；C.sub.2 -C.sub.6 -炔基；C.sub.1 -C.sub.6 -卤代烷基；或C.sub.3 -C.sub.6 -环烷基；A、B和D分别为.dbd.CH--或.dbd.N--；E是氧、硫或--NR.sup.7--。R.sup.7是氢；C.sub.1 -C.sub.6 -烷基；C.sub.2 -C.sub.6 -烯基；C.sub.2 -C.sub.6 -烷酰基；取代或未取代苯甲酰基；苄基；或取代或未取代苯基；X是卤素；C.sub.1 -C.sub.6 -烷基；取代或未取代C.sub.3 -C.sub.6 -环烷基；C.sub.2 -C.sub.6 -烯基；C.sub.2 -C.sub.6 -炔基；C.sub.1 -C.sub.6 -烷氧基；C.sub.2 -C.sub.6 -烯氧基；C.sub.1 -C.sub.6 -硫基；C.sub.1 -C.sub.6 -烷氧羰基；C.sub.2 -C.sub.6 -烷酰氧基；取代或未取代苄氧基；取代或未取代NR.sup.5R.sup.6；甲酰基；C.sub.2 -C.sub.6 -烷酰基或其亚胺、肟或席夫碱基；或取代或未取代苯基；n为0、1或2；R.sup.3、R.sup.4、R.sup.5和R.sup.6分别为氢、C.sub.1 -C.sub.6 -烷基、苯基、C.sub.2 -C.sub.6 -烷酰基、苯甲酰基和/或苄基；Z是氧或--NOR.sup.8；R.sup.8是取代或未取代C.sub.1 -C.sub.6 -烷基；C.sub.2 -C.sub.6 -烯基；C.sub.2 -C.sub.6 -炔基；C.sub.2 -C.sub.6 -卤代炔基；或取代或未取代茚基；它们的环境兼容盐，以及含有它们的制剂。
• [EN] HETEROCYCLE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES<br/>[FR] COMPOSÉS TÉTRACYCLIQUES SUBSTITUÉS PAR UN HÉTÉROCYCLE ET LEURS PROCÉDÉS D'UTILISATION POUR LE TRAITEMENT DE MALADIES VIRALES
  申请人：MERCK SHARP & DOHME

  公开号：WO2018035005A1

  公开（公告）日：2018-02-22

  The present invention relates to novel Heterocycle-Substituted Tetracyclic Compounds of Formula (I): (I) and pharmaceutically acceptable salts thereof, wherein A, A', R2 R3 and R5 are as defined herein. The present invention also relates to compositions comprising at least one Heterocycle-Substituted Tetracyclic Compound, and methods of using the Heterocycle-Substituted Tetracyclic Compounds for treating or preventing HCV infection in a patient.

  本发明涉及一种新型的Formula (I)的杂环取代四环化合物：(I)及其药学上可接受的盐，其中A、A'、R2、R3和R5如本文所定义。本发明还涉及包含至少一种杂环取代四环化合物的组合物，以及使用这些杂环取代四环化合物治疗或预防患者HCV感染的方法。
• TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR
  申请人：Genentech, Inc.

  公开号：US20130217666A1

  公开（公告）日：2013-08-22

  The invention relates to novel compounds of Formula I: wherein A 1 , A 2 , A 3 , A 4 , A 5 , A 6 , R 2 , R 4 , R 5 , R 6 , R 7 , R 8 and subscripts m and n each has the meaning as described herein. Compounds of Formula I and pharmaceutical compositions thereof are useful in the treatment of disease and disorders in which undesired or over-activation of NF-kB signaling is observed.

  本发明涉及公式I的新化合物：其中A1，A2，A3，A4，A5，A6，R2，R4，R5，R6，R7，R8和下标m和n的含义如此处所述。公式I的化合物及其制药组合物在治疗观察到NF-kB信号不良或过度激活的疾病和障碍方面是有用的。