2-Chloro-1-isopropyl-4-nitrobenzene | 52756-37-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-Chloro-1-isopropyl-4-nitrobenzene
• 英文别名: 2-chloro-4-nitro-1-propan-2-ylbenzene
• CAS: 52756-37-3
• 化学式: C9H10ClNO2
• 分子量: 199.63
• InChiKey: SLMAPOBCEMOCRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• PARAMYXOVIRUS FAMILY INHIBITORS AND METHODS OF USE THEREOF
  申请人：Plemper Richard K.

  公开号：US20110160188A1

  公开（公告）日：2011-06-30

  Embodiments of the present disclosure include methods for identifying a compound or compounds useful as therapeutic agents in the treatment of paramyxovirus infections, compounds for the treatment of measles, and high throughput screening methods for identifying compounds capable of inhibiting the proliferation of a paramyxovirus.

  本公开的实施例包括用于识别化合物或化合物的方法，这些化合物在治疗副黏病毒感染方面作为治疗剂有用，用于麻疹治疗的化合物，以及用于识别能够抑制副黏病毒增殖的化合物的高通量筛选方法。
• CXCR3 antagonists
  申请人：Collins L. Tassie

  公开号：US20070149557A1

  公开（公告）日：2007-06-28

  Compounds, compositions and methods are provided that are useful in the treatment of conditions and diseases mediated by a chemokine receptor. In particular, the compounds of the invention modulate the CXCR3 chemokine receptor. The subject methods are useful for the treatment of inflammatory and immunoregulatory disorders and diseases, such as multiple sclerosis, rheumatoid arthritis and type I diabetes.

  本发明提供了在治疗由趋化因子受体介导的疾病和症状中有用的化合物、组合物和方法。特别地，本发明的化合物调节CXCR3趋化因子受体。本方法适用于治疗炎症和免疫调节性疾病和症状，例如多发性硬化症、类风湿性关节炎和1型糖尿病。
• Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof
  申请人：Whitehead Institute for Biomedical Research

  公开号：US11225469B2

  公开（公告）日：2022-01-18

  The present invention provides compounds of Formula (II), and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled derivatives, pro-drugs, and compositions thereof. Also provided are methods and kits involving the compounds of Formula (I), (II) or (III) for treating diseases associated with the over-expression of phosphoglycerate dehydrogenase (PHGDH) in a subject, such as proliferative diseases (e.g., cancers (e.g., breast cancer, ER negative breast cancer, melanoma, cervical cancer), benign neoplasms, diseases associated with angiogenesis, inflammatory diseases, autoinflammatory diseases, and autoimmune diseases). Treatment of a subject with a proliferative disease using a compound or composition of the invention may inhibit the activity of PHGDH or inhibit the serine biosynthetic pathway, or both.

  本发明提供了式(II)化合物及其药学上可接受的盐、溶液剂、水合物、多晶型、共晶体、同分异构体、立体异构体、同位素标记的衍生物、原药及其组合物。还提供了涉及式(I)、(II)或(III)化合物的方法和试剂盒，用于治疗与受试者体内磷酸甘油脱氢酶（PHGDH）过度表达有关的疾病，如增殖性疾病（如癌症（如乳腺癌、ER阴性乳腺癌、黑色素瘤、宫颈癌）、良性肿瘤、与血管生成有关的疾病、炎症性疾病、自身炎症性疾病和自身免疫性疾病）。使用本发明的化合物或组合物治疗增殖性疾病患者，可抑制 PHGDH 的活性或抑制丝氨酸生物合成途径，或两者兼而有之。
• Glycopeptide Antibiotic Monomer Derivatives
  申请人：Arimoto Hirokazu

  公开号：US20080097078A1

  公开（公告）日：2008-04-24

  Novel glycopeptide antibiotic derivatives. These derivatives are represented by the formula (aglycon part of glycopeptide antibiotic derivative)-(Sac-NH)—R A [wherein (aglycon part of glycopeptide antibiotic derivative) is the part formed by removing the sugar part from a known glycopeptide antibiotic derivative; (Sac-NH) part is an amino sugar part or a sugar chain part containing an amino sugar; and R A represents, e.g., the formula —X 1 —Ar 1 —X 2 —Y—X 3 —Ar 2 (wherein X 1 , X 2 , and X 3 each represents 1) a single bond or 2) a heteroatom or heteroatom-containing group selected from the group consisting of —N═, ═N—, —NR 1 —, —O—, etc.; Y represents —NR 2 CO— or —CONR 2 — (wherein R 2 represents hydrogen or lower alkyl), etc.)]. These derivatives have antibacterial activity against vancomycin-resistant bacteria.
• INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF
  申请人：Whitehead Institute for Biomedical Research

  公开号：US20180105508A1

  公开（公告）日：2018-04-19

  The present invention provides compounds pounds of Formula (II), and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled derivatives, pro-drugs, and compositions thereof. Also provided are methods and kits involving the compounds of Formula (I), (II) or (III) for treating diseases associated with the over-expression of phosphoglycerate dehydrogenase (PHGDH) in a subject, such as proliferative diseases (e.g., cancers (e.g., breast cancer, ER negative breast cancer, melanoma, cervical cancer), benign neoplasms, diseases associated with angiogenesis, inflammatory diseases, autoinflammatory diseases, and autoimmune diseases). Treatment of a subject with a proliferative disease using a compound or composition of the invention may inhibit the activity of PHGDH or inhibit the serine biosynthetic pathway, or both.