(2-氨基-2-亚氨基乙基)氨基甲酸叔丁酯盐酸盐 | 691898-38-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: (2-氨基-2-亚氨基乙基)氨基甲酸叔丁酯盐酸盐
• 中文别名: N-Boc-氨基乙基脒盐酸盐；N-(2-氨基-2-亚氨乙基)氨基甲酸叔丁酯盐酸盐
• 英文名称: N-tert-butoxycarbonylaminomethylcarboxamidine hydrochloride
• 英文别名: amidine hydrochloride；tert-Butyl (2-amino-2-iminoethyl)carbamate hydrochloride；tert-butyl N-(2-amino-2-iminoethyl)carbamate;hydrochloride
• CAS: 691898-38-1
• 化学式: C₇H₁₅N₃O₂*ClH
• mdl: MFCD12913031
• 分子量: 209.676
• InChiKey: KSWWOLRLNZUAKS-UHFFFAOYSA-N

物化性质

• 熔点：
  >160°C (dec.)
• 溶解度：
  DMSO（少许）、甲醇（少许）、水（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  -0.39
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.714
• 拓扑面积：
  88.2
• 氢给体数：
  4
• 氢受体数：
  3

安全信息

• 海关编码：
  2925290090
• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340,P310,P330,P361,P403+P233,P405,P501
• 危险性描述：
  H315,H319,H335
• 储存条件：
  | 室温，惰性气氛 |

反应信息

• 作为反应物：
  描述：

  (2-氨基-2-亚氨基乙基)氨基甲酸叔丁酯盐酸盐 在 一水合肼 、 溶剂黄146 、 sodium nitrite 作用下， 反应 16.25h， 生成 di-tert-butyl ((1,2,4,5-tetrazine-3,6-diyl)bis(methylene))dicarbamate
  参考文献：
  名称：

  BIO-ORTHOGONAL DRUG ACTIVATION

  摘要：

  该发明涉及一种用于治疗学的原药激活方法，其中使用了表现出彼此生物正交反应性的非生物活性化学基团。该发明还涉及一种包含至少一种原药和至少一种激活剂的试剂盒，其中原药包含药物和第一个生物正交反应基团（触发器），而激活剂包含第二个生物正交反应基团。该发明还涉及在上述方法和试剂盒中使用的靶向治疗剂。该发明特别适用于抗体药物偶联物和双特异性及三特异性抗体衍生物。

  公开号：

  US20160106859A1
• 作为产物：
  描述：

  N-(叔丁氧羰基)-2-氨基乙腈 在 氯化铵 作用下， 以 甲醇 为溶剂， 反应 90.0h， 生成 (2-氨基-2-亚氨基乙基)氨基甲酸叔丁酯盐酸盐
  参考文献：
  名称：

  BIO-ORTHOGONAL DRUG ACTIVATION

  摘要：

  该发明涉及一种用于治疗学的原药激活方法，其中使用了表现出彼此生物正交反应性的非生物活性化学基团。该发明还涉及一种包含至少一种原药和至少一种激活剂的试剂盒，其中原药包含药物和第一个生物正交反应基团（触发器），而激活剂包含第二个生物正交反应基团。该发明还涉及在上述方法和试剂盒中使用的靶向治疗剂。该发明特别适用于抗体药物偶联物和双特异性及三特异性抗体衍生物。

  公开号：

  US20160106859A1

文献信息

• [EN] SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE<br/>[FR] COMPOSÉS DE PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE SUBSTITUÉS EN TANT QU'INHIBITEURS DE CDK ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：CARRICK THERAPEUTICS LTD

  公开号：WO2022263604A1

  公开（公告）日：2022-12-22

  The present invention pertains generally to the field of therapeutic compounds. More specifically the present invention pertains to certain substituted pyrazolo[1,5-a]pyrimidine-7-amine compounds PPA that, inter alia, inhibit cyclin-dependent protein kinases (CDKs), especially CDK12 and/or CDK13, and are selective, for example, for CDK12 and/or CDK13 as compared to CDK7. In addition to selectively inhibiting CDK12 and/or CDK13, the compounds also act as selective Cyclin K degraders thereby removing the key cofactor required for CDK12 and/or CDK13 activation; this confers additional cellular potency and selectivity. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit CDK, especially CDK12 and/or CDK13; and to treat disorders including: disorders that are associated with CDK, especially CDK12 and/or CDK13; disorders that result from an inappropriate activity of a CDK, especially CDK12 and/or CDK13; disorders that are associated with CDK mutation, especially CDK12 and/or CDK13mutation; disorders that are associated with CDK overexpression, especially CDK12 and/or CDK13 overexpression; disorders that are associated with upstream pathway activation of CDK, especially CDK12 and/or CDK13; disorders that are ameliorated by the inhibition of CDK, especially CDK12 and/or CDK13; proliferative disorders; cancer; viral infections (including HIV); neurodegenerative disorders (including Alzheimer's disease and Parkinson's disease); ischaemia; renal diseases; cardiovascular disorders (including atherosclerosis); autoimmune disorders (including rheumatoid arthritis); and disorders caused by dysfunction of translation in cells (including muscular dystrophy). Optionally, the treatment further comprises treatment (e.g., simultaneous or sequential treatment) with a further active agent which is, e.g., a DNA repair inhibitor, an immune checkpoint inhibitor, an agent stimulating the immune system, a cell cycle checkpoint inhibitor, a Her2 blocker, a transcriptional inhibitor, a cytotoxic chemotherapeutic agent, etc.

  本发明涉及治疗化合物领域。更具体地说，本发明涉及某些取代的吡唑并[1,5-a]嘧啶-7-胺化合物PPA，这些化合物在抑制细胞周期依赖蛋白激酶（CDKs）方面具有选择性，特别是CDK12和/或CDK13，并且相对于CDK7具有选择性。除了选择性地抑制CDK12和/或CDK13外，这些化合物还作为选择性的Cyclin K降解剂，从而去除了CDK12和/或CDK13激活所需的关键辅因子；这赋予了额外的细胞效力和选择性。本发明还涉及包含这些化合物的制药组合物以及在体内外使用这些化合物和组合物来抑制CDK，特别是CDK12和/或CDK13，并治疗与CDK，特别是CDK12和/或CDK13相关的疾病，包括：由CDK，特别是CDK12和/或CDK13引起的疾病；由CDK突变，特别是CDK12和/或CDK13突变引起的疾病；由CDK过表达，特别是CDK12和/或CDK13过表达引起的疾病；由CDK上游通路激活，特别是CDK12和/或CDK13激活引起的疾病；由抑制CDK，特别是CDK12和/或CDK13抑制改善的增殖性疾病；癌症；病毒感染（包括艾滋病毒）；神经退行性疾病（包括阿尔茨海默病和帕金森病）；缺血；肾脏疾病；心血管疾病（包括动脉粥样硬化）；自身免疫性疾病（包括类风湿性关节炎）；以及由细胞翻译功能障碍引起的疾病（包括肌萎缩性侧索硬化症）。可选地，治疗还进一步包括与另一种活性剂的治疗（例如，同时或顺序治疗），该活性剂可以是DNA修复抑制剂、免疫检查点抑制剂、刺激免疫系统的剂、细胞周期检查点抑制剂、Her2阻断剂、转录抑制剂、细胞毒化学治疗剂等。
• WO2008/5457
  申请人：——

  公开号：——

  公开（公告）日：——
• Cooperative Metal-Coordination and Ion Pairing in Tripeptide Recognition
  作者：Aaron T. Wright、Eric V. Anslyn

  DOI：10.1021/ol036441f

  日期：2004.4.1

  The recognition of tripeptides by a metal-centered receptor consisting of a rigid backbone region and variable tripeptide arms is described. The studies showed that the receptor was selective for L-Xxx-L-Lys-L-Lys, with Xxx = His, Cys, and Met, giving association constants near 1.0 x 10(5) M-1. Binding enhancement through cooperative interactions of the peptidic arms is demonstrated.
• [EN] BICYCLIC TRIAZINE DERIVATIVES FOR THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS DE TRIAZINE BICYCLIQUES POUR TRAITER LE CANCER
  申请人：[en]DEUTSCHES KREBSFORSCHUNGSZENTRUM

  公开号：WO2023135057A1

  公开（公告）日：2023-07-20

  The present invention provides compounds of general formula (I) in which A, B, X, Y, R1, R2and R3are as described and defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds, and the use of said compounds for manufacturing pharmaceutical compositions for the treatment and/or prophylaxis of diseases, in particular of hyperproliferative disorders such as cancer disorders, as a sole agent or in combination with other active ingredients.