4-异丙基-2-甲基-1-硝基-苯 | 859816-25-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-异丙基-2-甲基-1-硝基-苯
• 英文名称: 6-Nitro-3-isopropyl-toluol
• 英文别名: 4-isopropyl-2-methyl-1-nitro-benzene；4-Isopropyl-2-methyl-1-nitro-benzol；2-Methyl-1-nitro-4-propan-2-ylbenzene
• CAS: 859816-25-4
• 化学式: C₁₀H₁₃NO₂
• 分子量: 179.219
• InChiKey: UVOJZVQRQISFRW-UHFFFAOYSA-N

物化性质

• 沸点：
  258.4±19.0 °C(Predicted)
• 密度：
  1.069±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-异丙基-2-甲基-1-硝基-苯 在 盐酸 、 tin 作用下， 生成 4-isopropyl-2-methylaniline
  参考文献：
  名称：

  Kelbe; Warth, Justus Liebigs Annalen der Chemie, 1883, vol. 221, p. 169

  摘要：

  DOI：
• 作为产物：
  描述：

  P-伞花烃 在 硝酸 作用下， 生成 4-异丙基-2-甲基-1-硝基-苯
  参考文献：
  名称：

  Kelbe; Warth, Justus Liebigs Annalen der Chemie, 1883, vol. 221, p. 169

  摘要：

  DOI：

文献信息

• INHIBITORS OF C-FMS KINASE
  申请人：Illig Carl R.

  公开号：US20070249593A1

  公开（公告）日：2007-10-25

  The invention is directed to compounds of Formula I: wherein Z, X, J, R 2 and W are set forth in the specification, as well as solvates, hydrates, tautomers and pharmaceutically acceptable salts thereof, that inhibit protein tyrosine kinases, especially c-fms kinase. Methods of treating autoimmune diseases; and diseases with an inflammatory component; treating metastasis from ovarian cancer, uterine cancer, breast cancer, prostate cancer, lung cancer, colon cancer, stomach cancer, hairy cell leukemia; and treating pain, including skeletal pain caused by tumor metastasis or osteoarthritis, or visceral, inflammatory, and neurogenic pain; as well as osteoporosis, Paget's disease, and other diseases in which bone resorption mediates morbidity including rheumatoid arthritis, and other forms of inflammatory arthritis, osteoarthritis, prosthesis failure, osteolytic sarcoma, myeloma, and tumor metastasis to bone with the compounds of Formula I, are also provided.

  本发明涉及式I化合物：其中Z、X、J、R2和W在说明书中规定，以及抑制蛋白酪氨酸激酶，尤其是c-fms激酶的溶剂化物、水合物、互变异构体和药用盐。治疗自身免疫病；和治疗具有炎症成分的疾病；治疗来自卵巢癌、子宫癌、乳腺癌、前列腺癌、肺癌、结肠癌、胃癌、毛细胞白血病的转移；和治疗疼痛，包括由肿瘤转移或骨关节炎引起的骨骼疼痛，或内脏、炎症性和神经性疼痛；以及骨质疏松症、佩吉特病，以及骨吸收介导病状的其它疾病，包括类风湿性关节炎、其它形式的炎症性关节炎、骨关节炎、假体失败、溶骨肉瘤、骨髓瘤和骨转移瘤，也提供了式I化合物。
• Inhibitors of C-FMS Kinase
  申请人：Illig Carl R.

  公开号：US20080275031A1

  公开（公告）日：2008-11-06

  The invention is directed to compounds of Formula I: wherein Z, X, J, R 2 and W are set forth in the specification, as well as solvates, hydrates, tautomers and pharmaceutically acceptable salts thereof, that inhibit protein tyrosine kinases, especially c-fms kinase. Methods of treating autoimmune diseases; and diseases with an inflammatory component; treating metastasis from ovarian cancer, uterine cancer, breast cancer, prostate cancer, lung cancer, colon cancer, stomach cancer, hairy cell leukemia; and treating pain, including skeletal pain caused by tumor metastasis or osteoarthritis, or visceral, inflammatory, and neurogenic pain; as well as osteoporosis, Paget's disease, and other diseases in which bone resorption mediates morbidity including rheumatoid arthritis, and other forms of inflammatory arthritis, osteoarthritis, prosthesis failure, osteolytic sarcoma, myeloma, and tumor metastasis to bone with the compounds of Formula I, are also provided.

  本发明涉及公式I的化合物：其中Z，X，J，R2和W在规范中设置，以及其溶剂化物，水合物，互变异构体和药学上可接受的盐，该化合物抑制蛋白酪氨酸激酶，特别是c-fms激酶。本发明还提供了使用公式I化合物治疗自身免疫性疾病和具有炎症成分的疾病的方法；治疗卵巢癌，子宫癌，乳腺癌，前列腺癌，肺癌，结肠癌，胃癌，毛细胞白血病的转移；以及治疗疼痛，包括由肿瘤转移或骨关节炎引起的骨骼疼痛，或脏器，炎症和神经源性疼痛；以及骨质疏松症，帕吉特氏病和其他骨吸收介导发病率的疾病，包括类风湿性关节炎和其他形式的炎性关节炎，骨关节炎，假体失败，骨溶性肉瘤，骨髓瘤和肿瘤转移至骨骼的公式I化合物。
• DNA ALKYLATING AGENTS FOR USE IN THE TREATMENT OF CANCER
  申请人：ASCENTA PHARMACEUTICALS, LTD.

  公开号：EP3747508B1

  公开（公告）日：2021-10-13
• CLASS-AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF
  申请人：President and Fellows of Harvard College

  公开号：US20170267630A1

  公开（公告）日：2017-09-21

  HDAC inhibitors of the general formula (I) and (II) and pharmaceutically acceptable salts thereof, as described herein, are useful as inhibitors of histone deacetylases or other deacetylases, and thus are useful for the treatment of various diseases and disorders associated with acetylase/deacetylase activity as described herein (e.g., cancer). In certain embodiments, the compounds of the invention selectively target either a class or isoform of the HDAC family. Another aspect of the invention provides an assay for determining the inhibitory effect of a test compound on an HDAC protein comprising: incubating the HDAC protein with a substrate of general formula (IIIc) in the presence of a test compound; and determining the activity of the HDAC protein.
• US7414050B2
  申请人：——

  公开号：US7414050B2

  公开（公告）日：2008-08-19