(2R)-3-[[4-(dimethylamino)phenyl]methylsulfanyl]-2-[(2-methyl-3-sulfanylpropanoyl)amino]propanoic acid

• 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
• 英文名称: (2R)-3-[[4-(dimethylamino)phenyl]methylsulfanyl]-2-[(2-methyl-3-sulfanylpropanoyl)amino]propanoic acid
• 化学式: C₁₆H₂₄N₂O₃S₂
• 分子量: 356.5
• InChiKey: HLSVAMGQMKPXOP-IAXJKZSUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  95.9
• 氢给体数：
  3
• 氢受体数：
  6

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。
• Predictive analysis for myocardial infarction
  申请人：Scripps Health

  公开号：US10041120B2

  公开（公告）日：2018-08-07

  Compositions, systems and methods for the diagnosing the risk of acute myocardial infarction are provided. The methods described herein relate to the use of biomarkers, such as gene expression profiles, and analytical tools for providing information to a health care provider or the patient, that is relevant to the cardiovascular health of the patient.

  本文提供了用于诊断急性心肌梗死风险的组合物、系统和方法。本文所述方法涉及生物标记物（如基因表达谱）的使用，以及向医疗服务提供者或患者提供与患者心血管健康相关信息的分析工具。
• Selective delivery molecules and methods of use
  申请人：Avelas Biosciences, Inc.

  公开号：US10239919B2

  公开（公告）日：2019-03-26

  Disclosed herein is a selective delivery molecule comprising: (a) an acidic sequence (portion A) which is effective to inhibit or prevent the uptake into cells or tissue retention, (b) a molecular transport or retention sequence (portion B), and (c) a linker between portion A and portion B, and (d) at least one cargo moiety.

  本文公开了一种选择性递送分子，包括：(a) 有效抑制或阻止细胞吸收或组织保留的酸性序列（A 部分），(b) 分子运输或保留序列（B 部分），(c) A 部分和 B 部分之间的连接物，以及 (d) 至少一种货物分子。
• 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。