3-(4-碘苯基-2-疏基-(z)-2-丙酸 | 179528-45-1

• 物质功能分类: 生物化工 - 多肽
• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 中文名称: 3-(4-碘苯基-2-疏基-(z)-2-丙酸
• 英文名称: PD150606
• 英文别名: 3-(4-Iodophenyl)-2-mercapto-(Z)-2-propenoic acid；(Z)-3-(4-iodophenyl)-2-sulfanylprop-2-enoic acid
• CAS: 179528-45-1
• 化学式: C₉H₇IO₂S
• 分子量: 306.124
• InChiKey: DJCVSFWGKYHMKH-YVMONPNESA-N

物化性质

• 沸点：
  410.4±45.0 °C(Predicted)
• 密度：
  1.901±0.06 g/cm3(Predicted)
• 溶解度：
  二甲基亚砜：>20mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.3
• 氢给体数：
  2
• 氢受体数：
  3

制备方法与用途

生物活性

PD 150606 是一个选择性的、有细胞渗透性的非肽 calpain 抑制剂，对 μ-calpains 和 m-calpains 的 Ki 值分别为 0.21 μM 和 0.37 μM。它具有神经保护活性。

靶点

• Ki: 0.21 μM (μ-calpains), 0.37 μM (m-calpains)

体外研究

PD 150606 可与 calpain 的两个钙结合域（μ-和 m-calpains）相互作用。它能减轻皮层神经元在缺氧/低血糖条件下的损伤以及小脑切片中 Purkinje 细胞的兴奋毒性损伤。此外，PD 150606 (25 μM; 0-12 小时) 可减少环己酮甲醛（10 mg/ml）诱导的中性粒细胞凋亡。

文献信息

• Pretargeted activatable cell penetrating peptide with intracellularly releasable prodrug
  申请人：The Regents of the University of California

  公开号：US10029017B2

  公开（公告）日：2018-07-24

  Disclosed herein, the invention pertains to methods and compositions that find use in treatment, diagnosis, prognosis and characterization of disease and disease samples based on the ability of a disease sample to cleave a MTS molecule of the present invention. The MTS molecules of the present invention have a formula as disclosed herein and wherein A is a peptide with a sequence comprising 5 to 9 consecutive acidic amino acids, wherein the amino acids are selected from: aspartates and glutamates; B is a peptide with a sequence comprising 5 to 20 consecutive basic amino acids; X and Y are linkers; P is a pre-targeting moiety; M is a macromolecular carrier, C is a detectable moiety; and T is a compound for delivery to a target, including for example a therapeutic compound.

  在此公开的本发明涉及根据疾病样本裂解本发明的 MTS 分子的能力用于疾病和疾病样本的治疗、诊断、预后和表征的方法和组合物。本发明的 MTS 分子具有如本文所公开的式，其中 A 是多肽，其序列包括 5 至 9 个连续的酸性氨基酸，其中氨基酸选自天冬氨酸和谷氨酸；B 是多肽，其序列包括 5 至 20 个连续的碱性氨基酸；X 和 Y 是连接体；P 是预靶向分子；M 是大分子载体；C 是可检测分子；T 是用于递送至靶点的化合物，例如包括治疗化合物。
• Controlled-release otic structure modulating and innate immune system modulating compositions and methods for the treatment of otic disorders
  申请人：Lichter Jay

  公开号：US10092580B2

  公开（公告）日：2018-10-09

  Disclosed herein are compositions and methods for the treatment of otic disorders with otic structure modulating compositions administered locally to an individual afflicted with an otic disorder, through direct application of these compositions and compositions onto or via perfusion into the targeted auris structure(s).

  本文公开了用于治疗耳部疾病的组合物和方法，通过将这些组合物和成分直接施用到或通过灌注到目标虹膜结构，对患有耳部疾病的人局部施用调节耳部结构的组合物。
• Personalized protease assay to measure protease activity in neoplasms
  申请人：The Regents of the University of California

  公开号：US10385380B2

  公开（公告）日：2019-08-20

  Disclosed herein, the invention pertains to methods and compositions that find use in diagnostic, prognostic and characterization of neoplasia samples based on the ability of a neoplasia sample to cleave a MTS molecule of the present invention. In some embodiments, a MTS molecule disclosed herein has the formula (A-X-B-C), wherein A is a peptide with a sequence comprising 5 to 9 consecutive acidic amino acids, wherein the amino acids are selected from: aspartates and glutamates; B is a peptide with a sequence comprising 5 to 20 consecutive basic amino acids; X is a linker; and C is a detectable moiety.

  本发明涉及根据肿瘤样本裂解本发明 MTS 分子的能力，用于诊断、预后和表征肿瘤样本的方法和组合物。在一些实施方案中，本发明公开的 MTS 分子具有式（A-X-B-C），其中 A 是多肽，其序列包括 5 至 9 个连续的酸性氨基酸，其中氨基酸选自天冬氨酸和谷氨酸；B 是多肽，其序列包括 5 至 20 个连续的碱性氨基酸；X 是连接体；C 是可检测分子。
• Tumor radiosensitization with monomethyl auristatin E (MMAE) and derivatives thereof
  申请人：The Regents of the University of California

  公开号：US10596259B2

  公开（公告）日：2020-03-24

  Disclosed herein, the invention pertains to methods and compositions that find use in radiosensitization of tumors and tumor samples based on the ability of a tumor sample to cleave a MTS molecule of the present invention. The MTS molecules of the present invention have a formula as disclosed herein and wherein A is a peptide with a sequence comprising 5 to 9 consecutive acidic amino acids, wherein the amino acids are selected from: aspartates and glutamates; B is a peptide with a sequence comprising 5 to 20 consecutive basic amino acids; X and Y are linkers; P is an optional pre-targeting moiety; M is an optional macromolecular carrier; and T is a radiosensitization agent for delivery to a target, including for example a therapeutic compound.

  本发明涉及根据肿瘤样品裂解本发明MTS分子的能力对肿瘤和肿瘤样品进行放射增敏的方法和组合物。本发明的MTS分子具有如本文所公开的式，其中A是具有包含5至9个连续酸性氨基酸序列的多肽，其中氨基酸选自天冬氨酸和谷氨酸；B是具有包含5至20个连续碱性氨基酸序列的多肽；X和Y是连接体；P是任选的前靶向分子；M是任选的大分子载体；T是用于递送至靶点（例如包括治疗化合物）的放射增敏剂。
• Optimized peptides for targeting human nerves and their use in image guided surgery, diagnostics and therapeutic delivery
  申请人：The Regents of the University of California

  公开号：US11021517B2

  公开（公告）日：2021-06-01

  The present invention provides methods for guiding preservation of human neurons or human nerves during surgery by administering a fluorescently-labeled peptide that specifically binds to the human neurons or human nerves. The invention further provides human neuron or nerve targeting molecules comprising fluorescently-labeled peptides that specifically bind to human neurons or human nerves and compositions thereof.

  本发明提供了在手术过程中通过施用能与人神经元或人神经特异性结合的荧光标记肽来指导保存人神经元或人神经的方法。本发明进一步提供了人类神经元或神经靶向分子，包括特异性结合人类神经元或人类神经的荧光标记肽及其组合物。