4-(4-chloro-3-(5-(1-methylethyl)-2,5-diazabicyclo[2.2.1]hept-2-yl)-1H-indazol-1-yl)-N-((1S)-1-phenylethyl)-2-pyridinamine | 861417-05-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-(4-chloro-3-(5-(1-methylethyl)-2,5-diazabicyclo[2.2.1]hept-2-yl)-1H-indazol-1-yl)-N-((1S)-1-phenylethyl)-2-pyridinamine
• 英文别名: 4-[4-chloro-3-(5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)indazol-1-yl]-N-[(1S)-1-phenylethyl]pyridin-2-amine
• CAS: 861417-05-2
• 化学式: C₂₈H₃₁ClN₆
• 分子量: 487.047
• InChiKey: QGRLAFDZRNSYLQ-BVVFMGSASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  49.2
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Substituted heterocyclic compounds and methods of use
  申请人：Cao Guo-Qiang

  公开号：US20090149468A1

  公开（公告）日：2009-06-11

  The present invention relates to therapeutic diazobicyclo pyridines and their use in the treatment of arthritis, rheumatoid arthritis, psoriatic arthritis or osteoarthritis, organ transplant, acute transplant or heterograft and homograft rejection, ischemic and reperfusion injury, transplantation tolerance induction, multiple sclerosis, inflammatory bowel disease, ulcerative colitis, Crohn's disease, lupus, graft vs. host diseases, T-cell mediated hypersensitivity diseases, contact hypersensitivity, delayed-type hypersensitivity, gluten-sensitive enteropathy, Type 1 diabetes, psoriasis, contact dermatitis, Hashimoto's thyroiditis, Sjogren's syndrome, autoimmune hyperthyroidism, Graves' Disease, Addison's disease, autoimmune polyglandular disease, autoimmune alopecia, pernicious anemia, vitiligo, autoimmune hypopituatarism, Guillain-Barre syndrome, autoimmune diseases, glomerulonephritis, serum sickness, uticaria, respiratory allergies, asthma, hayfever, allergic rhinitis, skin allergies, scleracielma, mycosis fungoides, acute inflammatory responses, acute respiratory distress syndrome, dermatomyositis, alopecia areata, chronic actinic dermatitis, eczema, Behcet's disease, Pustulosis palmoplanteris, Pyoderma gangrenum, Sezary's syndrome, atopic dermatitis, systemic schlerosis, morphea, Type II diabetes and cancers where PKC theta or other PKC-family kinases are activated, overexpressed or facilitate tumor growth or survival of tumor cells, T cell leukemia, thymoma, T and B cell lymphoma, colon carcinoma, breast carcinoma and lung carcinoma or provides resistance to chemotherapeutic drugs.

  本发明涉及治疗二氮杂双环吡啶及其在治疗关节炎、类风湿关节炎、银屑病性关节炎或骨关节炎、器官移植、急性移植或异种移植和同种移植排斥、缺血再灌注损伤、移植耐受诱导、多发性硬化症、炎症性肠病、溃疡性结肠炎、克罗恩病、狼疮、移植物抗宿主病、T细胞介导的超敏反应疾病、接触性超敏反应、迟发型超敏反应、对麸质敏感性肠病、1型糖尿病、银屑病、接触性皮炎、桥本甲状腺炎、干燥综合征、自身免疫性甲状腺功能亢进症、格雷夫斯病、亚当逊病、自身多发性内分泌腺疾病、自身免疫性脱发、恶性贫血、白癜风、自身免疫性下丘脑功能减退症、格林-巴利综合征、自身免疫性疾病、肾小球肾炎、血清病、荨麻疹、呼吸道过敏、哮喘、花粉热、过敏性鼻炎、皮肤过敏、硬皮病、真菌病、急性炎症反应、急性呼吸窘迫综合征、皮肌炎、斑秃、慢性光化性皮炎、湿疹、Behcet病、掌跖角化病、脓疱病、Sezary综合征、特应性皮炎、系统性硬化症、硬皮病、2型糖尿病和PKCθ或其他PKC家族激酶被激活、过度表达或促进肿瘤细胞生长或生存、T细胞白血病、胸腺瘤、T和B细胞淋巴瘤、结肠癌、乳腺癌和肺癌或提供对化疗药物的抵抗力方面的用途。
• US7582631B2
  申请人：——

  公开号：US7582631B2

  公开（公告）日：2009-09-01