t-butyl-3-chloroaniline | 19088-39-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: t-butyl-3-chloroaniline
• 英文别名: N-(tert-butyl)-3-chloroaniline；m-Chlor-N-t-butylanilin；N-t-Butyl-m-chloranilin；Aniline, N-tert-butyl-3-chloro-；N-tert-butyl-3-chloroaniline
• CAS: 19088-39-2
• 化学式: C₁₀H₁₄ClN
• mdl: MFCD09966015
• 分子量: 183.681
• InChiKey: LDAXLSHIKGKJCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  t-butyl-3-chloroaniline 生成
  参考文献：
  名称：

  N-tert-Butylanilino radicals. II. Dimerization of N-3,5-tri-tert-butylanilino radicals

  摘要：

  DOI：

  10.1021/ja00807a034
• 作为产物：
  描述：

  、 叔丁胺 在 sodium t-butanolate 作用下， 以 甲基叔丁基醚 为溶剂， 以72 %的产率得到t-butyl-3-chloroaniline
  参考文献：
  名称：

  Arynophiles 的参数化：对 Aryne 捕获反应的定量理解的实验研究

  摘要：

  芳烃是高反应性中间体，可通过用亲芳试剂进行捕集来战略性地用于合成。然而，此类试剂的“亲氨性”几乎完全是轶事，预测哪些试剂将成为有效的陷阱通常具有挑战性。在这里，我们描述了一项系统研究，以参数化已知可捕获芳烃的各种试剂的亲芳性。通过使用呋喃作为参考芳烃和 3-氯苄作为芳烃，提出了基于一锅竞争实验的相对反应量表。在周环反应、亲核加成和σ-键插入反应用亲芳基 (A) 值参数化，并且可以使用多种芳炔前体。

  DOI：

  10.1055/a-1845-3066

文献信息

• IMMUNOREGULATORY AGENTS
  申请人：Flexus Biosciences, Inc.

  公开号：US20170197973A1

  公开（公告）日：2017-07-13

  Compounds that modulate the oxidoreductase enzyme indoleamine 2,3-dioxygenase, and compositions containing the compounds, are described herein. The use of such compounds and compositions for the treatment and/or prevention of a diverse array of diseases, disorders and conditions, including cancer- and immune-related disorders, that are mediated by indoleamine 2,3-dioxygenase is also provided.

  本文描述了调节氧化还原酶酶indoleamine 2,3-dioxygenase的化合物和含有这些化合物的组合物。还提供了使用这些化合物和组合物治疗和/或预防各种疾病、障碍和病况，包括由indoleamine 2,3-dioxygenase介导的癌症和免疫相关障碍。
• PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS
  申请人：Fink Brian E.

  公开号：US20090048244A1

  公开（公告）日：2009-02-19

  The present invention provides compounds of formula I and pharmaceutically acceptable salts thereof. The formula I compounds inhibit tyrosine kinase activity of growth factor receptors such as HER1, HER2 and HER4 thereby making them useful as antiproliferative agents. The formula I compounds are also useful for the treatment of other diseases associated with signal transduction pathways operating through growth factor receptors.

  本发明提供公式I化合物及其药学上可接受的盐。公式I化合物抑制生长因子受体的酪氨酸激酶活性，如HER1、HER2和HER4，因此使它们有用作抗增殖剂。公式I化合物也适用于治疗与通过生长因子受体进行信号转导途径相关的其他疾病。
• Benzene, Pyridine, and Pyridazine Derivatives
  申请人：Huang Kenneth He

  公开号：US20080096887A1

  公开（公告）日：2008-04-24

  Disclosed are compounds and pharmaceutically acceptable salts of Formula I wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , n, Q 1 , Q 2 , Q 3 , Y, and X 1 -X 4 are as defined herein. Compounds of Formula I are useful in the treatment of diseases and/or conditions related to cell proliferation, such as cancer, inflammation, arthritis, angiogenesis, or the like. Also disclosed are pharmaceutical compositions comprising compounds of the invention and methods of treating the aforementioned conditions using such compounds.

  本发明公开了式I的化合物和药学上可接受的盐，其中R1、R2、R3、R4、R5、R6、R7、n、Q1、Q2、Q3、Y和X1-X4的定义如本文所述。式I的化合物可用于治疗与细胞增殖有关的疾病和/或疾病，例如癌症、炎症、关节炎、血管生成或类似疾病。本发明还公开了包含本发明化合物的制药组合物和使用这些化合物治疗上述疾病的方法。
• Androgen Receptor Modulators
  申请人：Wang Jiabing

  公开号：US20070269405A1

  公开（公告）日：2007-11-22

  Compounds of structural Formula (I) are modulators of the androgen receptor (AR) in a tissue selective manner These compounds are useful in the enhancement of weakened muscle tone and the treatment of conditions caused by androgen deficiency or which can be ameliorated by androgen administration, including osteoporosis, osteopenia, glucocorticoid-induced osteoporosis, periodontal disease, bone fracture, bone damage following bone reconstructive surgery, sarcopenia, frailty, aging skin, male hypogonadism, postmenopausal symptoms in women, atherosclerosis, hypercholesterolemia, hyperlipidemia, obesity, aplastic anemia and other hematopoietic disorders, inflammatory arthritis and joint repair, HIV-wasting, prostate cancer, benign prostatic hyperplasia (BPH), abdominal adiposity, metabolic syndrome, type II diabetes, cancer cachexia, Alzheimer's disease, muscular dystrophies, cognitive decline, sexual dysfunction, sleep apnea, depression, premature ovarian failure, and autoimmune disease, alone or in combination with other active agents.

  结构式（I）的化合物以组织选择性的方式调节雄激素受体（AR），在增强肌肉张力和治疗由雄激素缺乏引起的或可以通过雄激素治疗改善的疾病中有用，包括骨质疏松症，骨质疏松症，糖皮质激素诱导的骨质疏松症，牙周病，骨折，骨重建手术后的骨损伤，肌肉萎缩，虚弱，老化皮肤，男性性腺功能减退，女性绝经后症状，动脉粥样硬化，高胆固醇血症，高脂血症，肥胖症，再生障碍性贫血和其他造血系统疾病，炎性关节炎和关节修复，艾滋病浪费，前列腺癌，良性前列腺增生症（BPH），腹部脂肪堆积，代谢综合征，2型糖尿病，癌症恶病质，阿尔茨海默病，肌肉萎缩症，认知能力下降，性功能障碍，睡眠呼吸暂停，抑郁症，早发卵巢衰竭和自身免疫疾病，单独或与其他活性药物联合使用。
• AMINOMETHYL-4-IMIDAZOLES
  申请人：Galley Guido

  公开号：US20080119535A1

  公开（公告）日：2008-05-22

  The present invention relates to amino-4-methyl imidazoles and pharmaceutically-acceptable salts thereof. The compound may be used for the treatment of depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder (ADHD), stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders such as Alzheimer's disease, epilepsy, migraine, hypertension, substance abuse and metabolic disorders such as eating disorders, diabetes, diabetic complications, obesity, dyslipidemia, disorders of energy consumption and assimilation, disorders and malfunction of body temperature homeostasis, disorders of sleep and circadian rhythm, and cardiovascular disorders.

  本发明涉及氨基-4-甲基咪唑及其药学可接受的盐。该化合物可用于治疗抑郁症、焦虑症、双相障碍、注意力缺陷多动障碍（ADHD）、压力相关障碍、精神病性障碍如精神分裂症、神经系统疾病如帕金森病、神经退行性疾病如阿尔茨海默病、癫痫、偏头痛、高血压、物质滥用和代谢性疾病如进食障碍、糖尿病、糖尿病并发症、肥胖症、脂质代谢异常、能量消耗和吸收障碍、体温稳态的障碍和功能障碍、睡眠和昼夜节律障碍以及心血管疾病的治疗。

表征谱图