4-FMOC-2-吗啉羧酸 | 312965-04-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 中文名称: 4-FMOC-2-吗啉羧酸
• 中文别名: 4-Fmoc-2-吗啉羧酸；2-羧基-4-Fmoc-吗啉
• 英文名称: 2-carboxy-4-Fmoc-morpholine
• 英文别名: FMOC-2-CARBOXYMORPHOLINE；4-[(9H-fluoren-9-ylmethoxy)carbonyl]morpholine-2-carboxylic acid；4-(9H-fluoren-9-ylmethoxycarbonyl)morpholine-2-carboxylic acid
• CAS: 312965-04-1
• 化学式: C₂₀H₁₉NO₅
• 分子量: 353.375
• InChiKey: TUZVFPRISNDQLQ-UHFFFAOYSA-N

物化性质

• 熔点：
  87-89°C
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  76.1
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  4-FMOC-2-吗啉羧酸 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 sodium hydroxide 作用下， 以 甲醇 、 1,1-二氯乙烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 4-({2-tert-butyl-1-[(4,4-difluorocyclohexyl)methyl]-1H-benzimidazol-5-yl}sulfonyl)-N-cyclopropylmorpholine-2-carboxamide
  参考文献：
  名称：

  Therapeutic Compounds

  摘要：

  式I的化合物或其药用可接受的盐：其中R1、R2、R3和R4如说明书中定义的那样，以及包括这些化合物的盐和药物组合物已经准备好。它们在治疗中很有用，特别是在疼痛管理中。

  公开号：

  US20110086853A1

文献信息

• [EN] CELL PROLIFERATION INHIBITORS AND CONJUGATES THEREOF<br/>[FR] INHIBITEURS DE LA PROLIFÉRATION CELLULAIRE ET LEURS CONJUGUÉS
  申请人：NOVARTIS AG

  公开号：WO2014151030A1

  公开（公告）日：2014-09-25

  Disclosed herein are immunoconjugates comprising an inhibitor of Eg5 linked to an antigen binding moiety such as an antibody, useful for treating cell proliferative disorders. Also disclosed are novel inhibitors of Eg5 that can be used either alone or as part of an immunoconjugate to treat cell proliferation disorders. The Eg5 inhibitors include compounds of this formula as described herein: [insert last structure from page 68 here] The invention further provides pharmaceutical compositions comprising these compounds and immunoconjugates, optionally including a therapeutic co-agent, and methods to use these compounds, conjugates and compositions for treating cell proliferation disorders.

  本发明公开了包含Eg5抑制剂的免疫偶联物，该抑制剂与抗原结合部分如抗体相连，用于治疗细胞增殖紊乱。还公开了新颖的Eg5抑制剂，可以单独使用或作为免疫偶联物的一部分来治疗细胞增殖紊乱。Eg5抑制剂包括如本文所述的这种化合物的化合物：[在此插入第68页的最后一个结构]本发明进一步提供了包含这些化合物和免疫偶联物的药物组合物，可选地包括治疗共剂，以及使用这些化合物、偶联物和组合物来治疗细胞增殖紊乱的方法。
• VLA-4 inhibitor compounds
  申请人：Daiichi Pharmaceutical Co., LTD.

  公开号：US20030078249A1

  公开（公告）日：2003-04-24

  Compounds that selectively inhibit the binding of ligands to &agr;4&bgr;1 integrin (VLA-4) and methods for their preparation are disclosed. In one embodiment, compounds of the invention are represented by Formula I: 1 As selective inhibitors of VLA-4 mediated cell adhesion, compounds of the present invention are useful in the treatment of conditions associated with such adhesion, including, but not limited to, such conditions as inflammatory and autoimmune responses, diabetes, asthma, psoriasis, inflammatory bowel disease, transplantation rejection, and tumor metastasis. Also disclosed are pharmaceutical compositions, methods of inhibiting VLA-4 mediated cell adhesion and methods of treating conditions associated with LA-4 mediated cell adhesion, which involve compounds of Formula I.

  本发明公开了选择性抑制配体与α4β1整合素（VLA-4）结合的化合物及其制备方法。在一个实施例中，本发明的化合物由式I表示： 1 作为VLA-4介导的细胞粘附的选择性抑制剂，本发明的化合物可用于治疗与该粘附相关的疾病，包括但不限于炎症和自身免疫反应、糖尿病、哮喘、银屑病、炎症性肠病、移植排斥和肿瘤转移。还公开了包含式I化合物的药物组合物、抑制VLA-4介导的细胞粘附的方法以及治疗与VLA-4介导的细胞粘附相关疾病的方法。
• SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF
  申请人：Schteingart Claudio D.

  公开号：US20090264373A1

  公开（公告）日：2009-10-22

  The invention relates to synthetic peptide amide ligands of the kappa opioid receptor and particularly to agonists of the kappa opioid receptor that exhibit low P 450 CYP inhibition and low penetration into the brain. The synthetic peptide amides of the invention conform to the structure: Pharmaceutical compositions containing these compounds are useful in the prophylaxis and treatment of pain and inflammation associated with a variety of diseases and conditions. Such treatable pain includes visceral pain, neuropathic pain and hyperalgesia. Inflammation associated with conditions such as IBD and IBS, ocular and otic inflammation, other disorders and conditions such as pruritis, edema, hyponatremia, hypokalemia, ileus, tussis and glaucoma are treatable or preventable with the pharmaceutical compositions of the invention.

  本发明涉及合成肽酰胺类κ-阿片受体配体，特别是表现出低P450CYP抑制和低穿透脑血屏障的κ-阿片受体激动剂。本发明的合成肽酰胺符合以下结构：含有这些化合物的制药组合物在预防和治疗与各种疾病和病况相关的疼痛和炎症方面非常有用。这种可治疗的疼痛包括内脏疼痛、神经病理性疼痛和过敏症。与炎症相关的病况，例如IBD和IBS、眼和耳炎症、其他疾病和病况，例如瘙痒、水肿、低钠血症、低钾血症、肠梗阻、咳嗽和青光眼，均可通过本发明的制药组合物进行治疗或预防。
• SYNTHETIC PEPTIDE AMIDES AND DIMERIC FORMS THEREOF
  申请人：Schteingart Claudio D.

  公开号：US20100075910A1

  公开（公告）日：2010-03-25

  The invention relates to synthetic peptide amides that are ligands of the kappa opioid receptor and particularly to agonists of the kappa opioid receptor that exhibit low P 450 CYP inhibition and low penetration into the brain. The synthetic peptide amides of the invention conform to the structure: wherein Xaa is a D-amino acid and G is selected from the following three groups: The compounds are useful in the prophylaxis and treatment of pain, pruritus and inflammation associated with a variety of diseases and conditions.

  本发明涉及合成的肽酰胺，它们是kappa阿片受体的配体，特别是kappa阿片受体的激动剂，表现出低的P450CYP抑制和低的进入大脑的能力。本发明的合成肽酰胺符合以下结构：其中Xaa是D-氨基酸，G选择自以下三个组：这些化合物在预防和治疗与各种疾病和情况相关的疼痛、瘙痒和炎症方面非常有用。
• Therapeutic compounds
  申请人：AstraZeneca AB

  公开号：US07615642B2

  公开（公告）日：2009-11-10

  Compounds of formula I or pharmaceutically acceptable salts thereof: wherein R1, R2, R3 and R4 are as defined in the specification as well as salts and pharmaceutical compositions including the compounds are prepared. They are useful in therapy, in particular in the management of pain.

  公式I的化合物或其药学上可接受的盐：其中R1、R2、R3和R4如规范中所定义，以及制备包括这些化合物的盐和药物组合物。它们在治疗中有用，特别是在缓解疼痛方面。