benzyl 2-bromo-5-phthalimidopentanoate | 596121-79-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: benzyl 2-bromo-5-phthalimidopentanoate
• 英文别名: 2-Bromo-5-(1,3-dioxo-1,3-dihydroisoindol-2-yl)pentanoic acid benzyl ester；benzyl 2-bromo-5-(1,3-dioxoisoindol-2-yl)pentanoate
• CAS: 596121-79-8
• 化学式: C₂₀H₁₈BrNO₄
• 分子量: 416.271
• InChiKey: NSHUMQULPQZNIO-UHFFFAOYSA-N

物化性质

• 沸点：
  524.7±45.0 °C(Predicted)
• 密度：
  1.466±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  63.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  benzyl 2-bromo-5-phthalimidopentanoate 、 轮环藤宁 在 乙腈 作用下， 以 乙腈 为溶剂， 反应 16.0h， 以138 g of product are obtained in the form of a white powder (corrected yield 81.3%)的产率得到5-(1,3-dioxo-1,3-dihydroisoindol-2-yl)-2-(1,4,7,10-tetraazacyclododec-1-yl)pentanoic acid benzyl ester
  参考文献：
  名称：

  COMPOUNDS FOR THE DIAGNOSIS OF DISEASES ASSOCIATED WITH VCAM EXPRESSION

  摘要：

  本发明涉及以下通式（I）的化合物：Signal-Linker-Peptide（I），其中：-Signal代表信号实体；-Linker，可能存在也可能不存在，代表化学键；-Peptide代表包含VCAM靶向肽的肽，所述VCAM靶向肽选择从以下公式的肽和其功能等效物中选择：a）X1-X2-X3-X4-X5-X6-X7-X8-X9（1）（SEQ ID No.1），其中X1不存在或选择自半胱氨酸和甲硫氨酸；X2选择自天冬氨酸和谷氨酰胺；X3选择自天冬氨酸和谷氨酰胺；X4选择自丝氨酸和苏氨酸；X5选择自赖氨酸、精氨酸、组氨酸和鸟氨酸；X6选择自丝氨酸和苏氨酸；X7选择自组氨酸、精氨酸和赖氨酸；X8选择自苏氨酸和丝氨酸；X9不存在或选择自半胱氨酸和甲硫氨酸；优选的肽为CNNSKSHTC（SEQ ID No.2）和NNSKSHT（SEQ ID No.3）；b）X10-X11-X12-X13-X14-X15-X16-X17-X18（2）（SEQ ID No.4），其中X10选择自半胱氨酸和甲硫氨酸；X11选择自甲硫氨酸和半胱氨酸；X12选择自赖氨酸、精氨酸和丙氨酸；X13选择自苏氨酸和丝氨酸；X14选择自天冬氨酸和谷氨酸；X15选择自苏氨酸和丝氨酸；X16选择自精氨酸、丙氨酸和赖氨酸；X17选择自亮氨酸、异亮氨酸和缬氨酸；X18选择自半胱氨酸和甲硫氨酸；优选的肽为CMKTDTRLC（SEQ ID No.5）；以及a）或b）的这些化合物的药学上可接受的盐。

  公开号：

  US20110200533A1

文献信息

• Oligomers of gadolinium chelates, their applicationascontrast products in magnetic resonance imaging and their synthesis intermediates
  申请人：Nachman Isabelle

  公开号：US20070098643A1

  公开（公告）日：2007-05-03

  The invention relates to high-relaxivity macrocyclic gadolinium chelate oligomers of formula W-(A) m in which W, A and m are as defined in claim 1 , and their use as a blood pool contrast product for magnetic resonance imaging.

  这项发明涉及公式W-(A)min的高弛豫率大环钆螯合寡聚体，其中W、A和m如权利要求1中所定义，并且它们作为磁共振成像的血池对比剂产品使用。
• COMPOUNDS FOR THE DIAGNOSIS OF DISEASES ASSOCIATED WITH VCAM EXPRESSION
  申请人：Port Marc

  公开号：US20110200533A1

  公开（公告）日：2011-08-18

  The present invention relates to a compound of the following general formula (I): Signal-Linker-Peptide (I) in which: -Signal represents a signal entity; -Linker, which may or may not be present, represents a chemical bond, and -Peptide represents a peptide comprising a VCAM-targeting peptide, the VCAM-targeting peptide being chosen from the peptides of formula below and the functional equivalents thereof: a) X1-X2-X3-X4-X5-X6-X7-X8-X9 (1) (SEQ ID No. 1) where X1 is absent or chosen from cysteine and methionine; X2 chosen from asparagine and glutamine; X3 chosen from asparagine and glutamine; X4 chosen from serine and threonine; X5 chosen from lysine, arginine, histidine and ornithine; X6 chosen from serine and threonine; X7 chosen from histidine, arginine and lysine; X8 chosen from threonine and serine; X9 is absent or chosen from cysteine and methionine; preferably, the peptide CNNSKSHTC (SEQ ID No. 2) and the peptide NNSKSHT (SEQ ID No. 3); b) X10-X11-X12-X13-X14-X15-X16-X17-X18 (2) (SEQ ID No. 4) with X10 chosen from cysteine and methionine; X11 chosen from methionine and cysteine; X12 chosen from lysine, arginine and alanine; X13 chosen from threonine and serine; X14 chosen from aspartic acid and glutamic acid; X15 chosen from threonine and serine; X16 chosen from arginine, alanine and lysine; X17 chosen from leucine, isoleucine and valine; X18 chosen from cysteine and methionine; preferably, the peptide CMKTDTRLC (SEQ ID No. 5); and the pharmaceutically acceptable salts of these compounds of a) or of b).

  本发明涉及以下一般式(I)的化合物：Signal-Linker-Peptide (I)其中：- Signal代表信号实体；- Linker，可以存在也可以不存在，代表化学键；- Peptide代表包含VCAM靶向肽的肽，所述VCAM靶向肽从以下式的肽中选择，以及其功能等效物：a) X1-X2-X3-X4-X5-X6-X7-X8-X9 (1) (序列号1)，其中X1不存在或从半胱氨酸和蛋氨酸中选择；X2从天冬氨酸和谷氨酸中选择；X3从天冬氨酸和谷氨酸中选择；X4从丝氨酸和苏氨酸中选择；X5从赖氨酸、精氨酸、组氨酸和鸟氨酸中选择；X6从丝氨酸和苏氨酸中选择；X7从组氨酸、精氨酸和赖氨酸中选择；X8从苏氨酸和丝氨酸中选择；X9不存在或从半胱氨酸和蛋氨酸中选择；优选的肽为CNNSKSHTC (序列号2)和NNSKSHT (序列号3)；b) X10-X11-X12-X13-X14-X15-X16-X17-X18 (2) (序列号4)，其中X10从半胱氨酸和蛋氨酸中选择；X11从蛋氨酸和半胱氨酸中选择；X12从赖氨酸、精氨酸和丙氨酸中选择；X13从苏氨酸和丝氨酸中选择；X14从天冬氨酸和谷氨酸中选择；X15从苏氨酸和丝氨酸中选择；X16从精氨酸、丙氨酸和赖氨酸中选择；X17从亮氨酸、异亮氨酸和缬氨酸中选择；X18从半胱氨酸和蛋氨酸中选择；优选的肽为CMKTDTRLC (序列号5)；以及a)或b)中的这些化合物的药用盐。
• COMPOUNDS FOR THE DIAGNOSIS OF APOPTOSIS
  申请人：Port Marc

  公开号：US20100143250A1

  公开（公告）日：2010-06-10

  The present invention relates to a compound of general formula (I) below: Signal−Linker−Peptide (I) in which Signal represents a signal entity; Linker, which may or may not be present, represents a chemical bond and Peptide represents a peptide comprising an apoptosis-targeting peptide, the apoptosis-targeting peptide being chosen from the peptides having the formula below and the functional equivalents thereof: X1-X2-X3-X4-X5-X6 (1) (SEQ ID No 1) in which X1 and X2 represent, independently of one another, leucine or isoleucine, X3 and X4 represent lysine, X5 represents proline and X6 represents phenylalanine, advantageously the peptide L-I-K-K-P-F (SEQ ID No 11) and the functional equivalents thereof; D-A-H-S-X7-S (2) (SEQ ID No 2) in which X7 represents phenylalanine or leucine; P-G-D-L-X8-X9 (3) (SEQ ID No 3) in which X8 represents serine or valine and X9 represents threonine or arginine; H-G-X10-L-S-X11 (4) (SEQ ID No 4) in which X10 represents aspartic acid or histidine, and X11 represents threonine or isoleucine; V-L-G-E-R-G (5) (SEQ ID No 5); and the pharmaceutically acceptable salts of these compounds.

  本发明涉及一种通式（I）化合物：Signal−Linker−Peptide（I），其中Signal代表信号实体；Linker代表可能存在或不存在的化学键；Peptide代表包含凋亡靶向肽的肽，所述凋亡靶向肽选择以下具有通式的肽及其功能等效物：X1-X2-X3-X4-X5-X6（1）（SEQ ID No 1），其中X1和X2分别独立地表示亮氨酸或异亮氨酸，X3和X4表示赖氨酸，X5表示脯氨酸，X6表示苯丙氨酸，优选的肽为L-I-K-K-P-F（SEQ ID No 11）及其功能等效物；D-A-H-S-X7-S（2）（SEQ ID No 2），其中X7表示苯丙氨酸或亮氨酸；P-G-D-L-X8-X9（3）（SEQ ID No 3），其中X8表示丝氨酸或缬氨酸，X9表示苏氨酸或精氨酸；H-G-X10-L-S-X11（4）（SEQ ID No 4），其中X10表示天冬氨酸或组氨酸，X11表示苏氨酸或异亮氨酸；V-L-G-E-R-G（5）（SEQ ID No 5）；以及这些化合物的药学上可接受的盐。
• Diagnostic compounds for targeting a chemokine receptors
  申请人：Port Marc

  公开号：US20090202435A1

  公开（公告）日：2009-08-13

  The present invention relates to a compound comprising, firstly a component for targeting at least one chemokine receptor and, secondly, a detection component capable of being identified by a medical imaging method.

  本发明涉及一种化合物，包括第一部分用于靶向至少一种趋化因子受体的组分和第二部分是一种检测组分，能够通过医学成像方法被鉴定。
• Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium
  申请人：Port Marc

  公开号：US20110092806A1

  公开（公告）日：2011-04-21

  The invention concerns compounds comprising a biological target recognizing part, coupled to a signal part capable of complexing gallium. The invention also concerns methods for obtaining said compounds, screening methods capable of selecting such compounds for chemical synthesis thereof and their diagnostic applications, in particular in PET, PET/IRM, PET CT imaging.

  本发明涉及化合物，包括生物靶标识别部分和能够与镓形成配合物的信号部分。本发明还涉及获得这些化合物的方法，筛选方法能够选择这些化合物进行化学合成以及它们的诊断应用，特别是在PET、PET/IRM、PET CT成像中。