orteronel | 426219-32-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: orteronel
• 英文别名: 6-(7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl)-N-methyl-2-naphthamide；6-(7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl)-N-methylnaphthalene-2-carboxamide
• CAS: 426219-32-1
• 化学式: C₁₈H₁₇N₃O₂
• 分子量: 307.352
• InChiKey: OZPFIJIOIVJZMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  67.2
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  orteronel 以99% ee;的产率得到Orteronel; 6-[(7S)-7-羟基-6,7-二氢-5H-吡咯并[1,2-c]咪唑-7-基]-N-甲基-2-萘甲酰胺
  参考文献：
  名称：

  Novel imidazole derivatives, production method thereof and use thereof

  摘要：

  本发明提供了一种具有类固醇C17,20-裂解酶抑制活性并用于治疗和预防肿瘤（如前列腺癌、乳腺癌等）的化合物，以及一种从其光学异构体混合物中高效分离出该化合物的光学活性化合物的方法，该化合物的化学式为：1，其中每个符号如规范中定义的，其盐或前药，以及通过使用解析剂（如对苯二甲酸等）对光学异构体混合物进行光学分离以获得光学活性化合物的方法。

  公开号：

  US20040033935A1
• 作为产物：
  描述：

  6-[1,3-dihydroxy-1-(1-trityl-1H-imidazol-4-yl)propyl]-N-methyl-2-naphthamide 在 甲基磺酰氯 、 N,N-二异丙基乙胺 、 氯化铵 作用下， 以 四氢呋喃 、 水 、 二甲基亚砜 、 甲醇 、 乙腈 、 乙酸乙酯 为溶剂， 反应 3.83h， 以80%的产率得到orteronel
  参考文献：
  名称：

  PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME

  摘要：

  公开号：

  EP1471056B1

文献信息

• [EN] COMPOSITIONS AND METHODS FOR TREATMENT OF PROSTATE CARCINOMA<br/>[FR] COMPOSITIONS ET MÉTHODES DE TRAITEMENT D'UN CARCINOME DE LA PROSTATE
  申请人：PELLFICURE PHARMACEUTICALS INC

  公开号：WO2016040896A1

  公开（公告）日：2016-03-17

  Disclosed herein are 1,4-naphthoquinone analogs, pharmaceutical compositions that include one or more of such 1,4-naphthoquinone analogs, and methods of treating and/or ameliorating diseases and/or conditions associated with a cancer, such as prostate cancer with such 1,4-naphthoquinone analogs. Also included are combination therapies wherein a 1,4-naphthoquinone analog disclosed herein, and a hormone therapy agent are provided to a subject suffering from a condition such as cancer.

  披露的是1,4-萘醌类似物，包括一个或多个这样的1,4-萘醌类似物的药物组合物，以及使用这些1,4-萘醌类似物治疗和/或改善与癌症相关的疾病和/或状况的方法，例如前列腺癌。还包括组合疗法，其中向患有癌症等状况的主体提供在本发明中披露的1,4-萘醌类似物和激素治疗剂。
• COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR
  申请人：Zhang Jiazhong

  公开号：US20110263595A1

  公开（公告）日：2011-10-27

  Compounds and salts thereof, formulations thereof, conjugates thereof, derivatives thereof, forms thereof and uses thereof are described. In certain aspects and embodiments, the described compounds or salts thereof, formulations thereof, conjugates thereof, derivatives thereof, forms thereof are active on one or more of Fms, Kit, Flt3, TrkA, TrkB and TrkC kinase protein. Also described are methods of use thereof to treat diseases and conditions, including diseases and conditions associated with activity of one or more of Fms, Kit, Flt3, TrkA, TrkB and TrkC, including rheumatoid arthritis, osteoarthritis, osteoporosis, peri-prosthetic osteolysis, systemic sclerosis, demyelinating disorders, multiple sclerosis, Charcot Marie Tooth syndrome, amyotrophic lateral sclerosis, Alzheimer's disease, Parkinson's disease, global ischemia, ulcerative colitis, Crohn's disease, immune thrombocytopenic purpura, atherosclerosis, systemic lupus erythematosis, myelopreparation for autologous transplantation, transplant rejection, glomerulonephritis, interstitial nephritis, Lupus nephritis, tubular necrosis, diabetic nephropathy, renal hypertrophy, type I diabetes, acute pain, inflammatory pain, neuropathic pain, acute myeloid leukemia, melanoma, multiple myeloma, breast cancer, prostate cancer, pancreatic cancer, lung cancer, ovarian cancer, gliomas, glioblastoma, neurofibromatosis, osteolytic bone metastases, brain metasteses, gastrointestinal stromal tumors, and giant cell tumors.

  描述了化合物及其盐、配方、共轭物、衍生物、形式和用途。在某些方面和实施例中，所述化合物或其盐、配方、共轭物、衍生物、形式对Fms、Kit、Flt3、TrkA、TrkB和TrkC激酶蛋白中的一个或多个具有活性。还描述了使用方法，用于治疗与Fms、Kit、Flt3、TrkA、TrkB和TrkC中的一个或多个活性相关的疾病和症状，包括类风湿性关节炎、骨关节炎、骨质疏松症、周围假体周围骨溶解、系统性硬化、脱髓鞘疾病、多发性硬化症、沙科特-玛丽-屈氏综合征、肌萎缩性侧索硬化、阿尔茨海默病、帕金森病、全球性缺血、溃疡性结肠炎、克罗恩病、免疫性血小板减少性紫癜、动脉粥样硬化、系统性红斑狼疮、自体移植的骨髓准备、移植排斥、肾小球肾炎、间质性肾炎、狼疮性肾炎、肾小管坏死、糖尿病性肾病、肾肥大、I型糖尿病、急性疼痛、炎症性疼痛、神经病性疼痛、急性髓样白血病、黑色素瘤、多发性骨髓瘤、乳腺癌、前列腺癌、胰腺癌、肺癌、卵巢癌、胶质瘤、胶质母细胞瘤、神经纤维瘤病、骨转移性溶骨病、脑转移瘤、胃肠道间质瘤和巨细胞瘤。
• [EN] PRODUCTION METHOD OF IMIDAZOLE DERIVATIVES<br/>[FR] PROCÉDÉ DE PRODUCTION DE DÉRIVÉS D'IMIDAZOLE
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2012173280A1

  公开（公告）日：2012-12-20

  The present invention provides an advantageous production method of an imidazole derivative, which is suitable for industrial production. Compound (VI) is produced by reacting compound (I) with a Grignard reagent or a magnesium reagent, and a lithium reagent, and then reacting the resulting compound with compound (V).

  本发明提供了一种有利于工业生产的咪唑衍生物的生产方法。化合物（VI）通过将化合物（I）与格氏试剂或镁试剂以及锂试剂反应，然后将所得化合物与化合物（V）反应而产生。
• Combination Drug Therapy
  申请人：GLAXOSMITHKLINE LLC

  公开号：US20160287610A1

  公开（公告）日：2016-10-06

  A novel combination comprising the 17 α-hydroxylase/C17,20 lyase inhibitor, (3β)-17-(pyridin-3-yl)androsta-5,16-dien-3-ol or a pharmaceutically acceptable salt or solvate thereof, with a PI3Kβ inhibitor, 2-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methyl}-6-(4-morpholinyl)-1H-benzimidazole-4-carboxylic acid, or a pharmaceutically acceptable salt thereof, pharmaceutical compositions comprising the same and methods of using such combinations and compositions in the treatment of conditions in which the inhibition of 17 α-hydroxylase/C17,20 lyase and/or PI3Kβ is beneficial, e.g., cancer.

  一种新的组合物，包括17α-羟化酶/C17,20裂解酶抑制剂(3β)-17-(吡啶-3-基)雄甾-5,16-二烯-3-醇或其药用可接受的盐或溶剂，与PI3Kβ抑制剂2-甲基-1-[2-甲基-3-(三氟甲基)苯基]甲基}-6-(4-吗啉基)-1H-苯并咪唑-4-羧酸，或其药用可接受的盐，包括相同的药物组合物和使用这种组合物和组合物治疗17α-羟化酶/C17,20裂解酶和/或PI3Kβ抑制有益的疾病条件的方法，例如癌症。
• [EN] NOVEL IMIDAZOLE DERIVATIVES, PRODUCTION METHOD THEREOF AND USE THEREOF<br/>[FR] NOUVEAUX DERIVES IMIDAZOLE, PROCEDE DE PRODUCTION CORRESPONDANT ET UTILISATION DE CES DERIVES
  申请人：TAKEDA CHEMICAL INDUSTRIES LTD

  公开号：WO2002040484A2

  公开（公告）日：2002-05-23

  The present invention provides a compound having a steroid C17,20-lyase-inhibitory activity and useful for the therapy and prophylaxis of tumor such as prostatism, breast cancer and the like, and a method for efficiently separating an optically active compound of this compound from a mixture of optical isomers thereof, a compound of the formula:wherein each symbol is as defined in the specification, a salt thereof or a prodrug thereof, and a method for obtaining an optically active compound by optically resolving a mixture of optical isomers by the use of a resolving agent such as tartranilic acid and the like.

  本发明提供了一种具有类固醇C17,20-裂解酶抑制活性的化合物，用于治疗和预防肿瘤，例如前列腺癌、乳腺癌等，并提供了一种从其光学异构体混合物中高效分离出该化合物的光学活性化合物的方法，该化合物的式为：其中每个符号如规范中所定义，其盐或前药，以及通过使用像酞磺酸等分离剂对光学异构体混合物进行光学分离以获得光学活性化合物的方法。