1-[[[(1,1-二甲基乙氧基)羰基]氨基]甲基]-环戊烷羧酸 | 204514-22-7

• 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: 1-[[[(1,1-二甲基乙氧基)羰基]氨基]甲基]-环戊烷羧酸
• 中文别名: 叔丁氧羰基-1-氨基甲基环戊烷羧酸；1-[(Boc-氨基)甲基]环戊甲酸；1-[(BOC-氨基)甲基]环戊甲酸；BOC-1-氨基甲基环戊烷羧酸
• 英文名称: 1-(<<(tert-butoxy)carbonyl>amino>methyl)cyclopentane-1-carboxylic acid
• 英文别名: 1-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]cyclopentanoic acid；1-(((tert-Butoxycarbonyl)amino)methyl)cyclopentanecarboxylic acid；1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylic acid
• CAS: 204514-22-7
• 化学式: C₁₂H₂₁NO₄
• mdl: MFCD09264201
• 分子量: 243.303
• InChiKey: SZCQGYCDQVOYDH-UHFFFAOYSA-N

物化性质

• 沸点：
  390.2±15.0 °C(Predicted)
• 密度：
  1.129±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2924299090
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312+P330,P302+P352,P304+P340+P312,P305+P351+P338,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H332,H335

反应信息

• 作为反应物：
  描述：

  1-[[[(1,1-二甲基乙氧基)羰基]氨基]甲基]-环戊烷羧酸 在 吗啉 、 四(三苯基膦)钯 、 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 为溶剂， 生成 1-(tert-Butoxycarbonylamino-methyl)-cyclopentanecarboxylic acid (S)-1-carboxy-3-methyl-butyl ester
  参考文献：
  名称：

  Synthesis and biological evaluation of cryptophycin analogs with substitution at C-6 (fragment C region)

  摘要：

  Analogs of the antitumor agents cryptophycins 1 and 8 with dialkyl substitution at C-6 (fragment C) were synthesized and evaluated for in vitro cytotoxicity against human leukemia cells (CCRF-CEM). The activity of these analogs decreased as the size of the substituents at C-6 increased. The C-6 spirocylopropyl compound (2g) was highly potent in vitro and showed excellent antitumor activity in animal models. (C) 1999 Elsevier Science Ltd. ALI rights reserved.

  DOI：

  10.1016/s0960-894x(98)00748-3
• 作为产物：
  描述：

  1-(氨基甲基)环戊烷甲醇 在 ruthenium trichloride 、 sodium hydroxide 、 sodium periodate 作用下， 以 四氢呋喃 、 四氯化碳 、 乙腈 为溶剂， 生成 1-[[[(1,1-二甲基乙氧基)羰基]氨基]甲基]-环戊烷羧酸
  参考文献：
  名称：

  Synthesis and biological evaluation of cryptophycin analogs with substitution at C-6 (fragment C region)

  摘要：

  Analogs of the antitumor agents cryptophycins 1 and 8 with dialkyl substitution at C-6 (fragment C) were synthesized and evaluated for in vitro cytotoxicity against human leukemia cells (CCRF-CEM). The activity of these analogs decreased as the size of the substituents at C-6 increased. The C-6 spirocylopropyl compound (2g) was highly potent in vitro and showed excellent antitumor activity in animal models. (C) 1999 Elsevier Science Ltd. ALI rights reserved.

  DOI：

  10.1016/s0960-894x(98)00748-3

文献信息

• TERTIARY AMINE COMPOUND OR IMINE COMPOUND-POLYMER CONJUGATE AND PRODUCTION METHOD THEREFOR
  申请人：Seikagaku Corporation

  公开号：US20200138964A1

  公开（公告）日：2020-05-07

  Provided is a compound obtained by conjugating a tertiary amine compound or imine compound, which is useful as a drug, with a polymer, in which a structure D + having a quaternary ammonium salt or iminium salt formed from a tertiary amine compound or imine compound D and a polymer residue Poly having a carboxy group are bonded to each other via a structure —C(R 1 )(R 2 )OC(O)ANHC(═O)—.

  提供的是一种化合物，通过将一种三级胺化合物或亚胺化合物与聚合物共轭，用作药物，其中具有由三级胺化合物或亚胺化合物D形成的季铵盐或亚胺盐的结构D + 和具有羧基的聚合物残基Poly通过结构—C(R 1 )(R 2 )OC(O)ANHC(═O)—相互键合。
• Pharmaceutical compounds
  申请人：——

  公开号：US20020128185A1

  公开（公告）日：2002-09-12

  The invention provides novel cryptophycin compounds which can be useful for disrupting the microtubulin system, as antineoplastic agents, antifungal, and for the treatment of cancer. The invention further provides a formulation for administering the novel cryptophycin compounds.

  该发明提供了新型的隐花黄素化合物，可用于破坏微管蛋白系统，作为抗肿瘤药物、抗真菌药物，以及用于癌症治疗。该发明还提供了一种用于给予这些新型隐花黄素化合物的配方。
• The design and synthesis of potent cyclic peptide VCAM–VLA-4 antagonists incorporating an achiral Asp-Pro mimetic
  作者：Nader Fotouhi、Pramod Joshi、David Fry、Charles Cook、Jefferson W Tilley、Gerry Kaplan、Angela Hanglow、Karen Rowan、Virginia Schwinge、Barry Wolitzky

  DOI：10.1016/s0960-894x(00)00174-8

  日期：2000.6

  The Asp-Pro sequence of the cyclic peptide Ac-HN-Tyr-Cys*-Asp-Pro-Cys*-OH (1) could be replaced with the achiral dipeptide mimetic 1-(2-aminoethyl)cyclpentylcarboxylic acid with retention of potent inhibition of the VCAM-VLA-4 interaction.

  环状肽Ac-HN-Tyr-Cys * -Asp-Pro-Cys * -OH（1）的Asp-Pro序列可被非手性二肽模拟1-（2-氨基乙基）环戊基羧酸取代抑制VCAM-VLA-4相互作用。
• RILUZOLE PRODRUGS AND THEIR USE
  申请人：Biohaven Pharmaceutical Holding Company Ltd.

  公开号：US20180036290A1

  公开（公告）日：2018-02-08

  Pharmaceutical compositions of the invention include substituted riluzole prodrugs useful for the treatment of cancers including melanoma, breast cancer, brain cancer, and prostate cancer through the release of riluzole. Prodrugs of riluzole have enhanced stability to hepatic metabolism and are delivered into systemic circulation by oral administration, and then cleaved to release riluzole in the plasma via either an enzymatic or general biophysical release process.

  本发明的制药组合物包括替代利鲁唑前药，通过释放利鲁唑治疗包括黑色素瘤、乳腺癌、脑癌和前列腺癌等癌症。利鲁唑的前药具有增强的肝代谢稳定性，并通过口服途径输送到全身循环中，然后通过酶促或一般的生物物理释放过程在血浆中裂解释放利鲁唑。
• PHARMACEUTICAL COMPOSITIONS COMPRISING RILUZOLE PRODRUGS
  申请人：Biohaven Pharmaceutical Holding Company Ltd.

  公开号：EP4011870A1

  公开（公告）日：2022-06-15

  Pharmaceutical compositions of the invention include substituted riluzole prodrugs useful for the treatment of cancers including melanoma, breast cancer, brain cancer, and prostate cancer through the release of riluzole. Prodrugs of riluzole have enhanced stability to hepatic metabolism and are delivered into systemic circulation by oral administration, and then cleaved to release riluzole in the plasma via either an enzymatic or general biophysical release process.

  本发明的药物组合物包括取代的利鲁唑原药，可通过释放利鲁唑治疗癌症，包括黑色素瘤、乳腺癌、脑癌和前列腺癌。利鲁唑原药对肝脏代谢的稳定性增强，通过口服进入全身循环，然后通过酶或一般生物物理释放过程裂解，在血浆中释放利鲁唑。