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Echinomycin | 1403-88-9

中文名称
——
中文别名
——
英文名称
Echinomycin
英文别名
N-[2,4,12,15,17,25-hexamethyl-27-methylsulfanyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide
Echinomycin化学式
CAS
1403-88-9
化学式
C51H64N12O12S2
mdl
——
分子量
1101.3
InChiKey
AUJXLBOHYWTPFV-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    2.7
  • 重原子数:
    77
  • 可旋转键数:
    7
  • 环数:
    6.0
  • sp3杂化的碳原子比例:
    0.49
  • 拓扑面积:
    352
  • 氢给体数:
    4
  • 氢受体数:
    18

ADMET

毒理性
  • 毒性数据
毒性数据:小鼠(腹腔注射):LD50 400微克/千克
ToxicityData:Mouse(ip): LD50: 400 µg/kg
来源:NCI Investigational Drugs
毒理性
  • 毒性数据
毒性数据:小鼠(皮下注射):LD50 3800微克/千克
ToxicityData:Mouse(sc): LD50: 3800 µg/kg
来源:NCI Investigational Drugs
毒理性
  • 毒性数据
毒性数据:小鼠(静脉注射):LD50 629微克/千克
ToxicityData:Mouse(iv): LD50: 629 µg/kg
来源:NCI Investigational Drugs
毒理性
  • 毒性数据
毒性数据:狗(静脉注射):LDLo为89微克/千克
ToxicityData:Dog(iv): LD Lo: 89 µg/kg
来源:NCI Investigational Drugs

文献信息

  • [EN] SELF-IMMOLATIVE LINKERS CONTAINING MANDELIC ACID DERIVATIVES, DRUG-LIGAND CONJUGATES FOR TARGETED THERAPIES AND USES THEREOF<br/>[FR] LIEURS AUTO-IMMOLABLES CONTENANT DES DÉRIVÉS D'ACIDE MANDÉLIQUE, CONJUGUÉS MÉDICAMENT-LIGAND POUR THÉRAPIES CIBLÉES, ET LEURS UTILISATIONS
    申请人:ASANA BIOSCIENCES LLC
    公开号:WO2015038426A1
    公开(公告)日:2015-03-19
    The invention provides a therapeutic drug and targeting conjugate, pharmaceutical compositions containing these conjugates in pharmaceutical composition, and uses of these conjugates in anti-neoplastic and other therapeutic regimens. Also provided are novel intermediates thereof. The conjugates provide a therapeutic drug fragment or prodrug fragment bound to a targeting moiety via a linker which comprises a substrate cleavable by a protease such as Cathepsin B. The targeting moiety is a ligand which targets a cell surface molecule, such as a cell surface receptor on an anti-neoplastic cell. The ligand may function solely as a targeting moiety or may itself have a therapeutic effect. Following administration of the therapeutic drug and targeting conjugate of formula I and exposure of the conjugate to the protease specific for the substrate, the linker is cleaved and the targeting moiety is separated from the conjugate, which causes the drug fragment or prodrug fragment to convert to the drug or prodrug. The recited conjugates are useful in anti-neoplastic therapies. Also provided are methods of making the therapeutic drug and targeting conjugates and intermediates thereof, and kits comprising the therapeutic drug and targeting conjugates.
    该发明提供了一种治疗药物和靶向共轭物,包含这些共轭物的药物组合物,以及这些共轭物在抗肿瘤和其他治疗方案中的用途。还提供了其新颖的中间体。这些共轭物通过一个由蛋白酶如半胱蛋白酶B可切割的底物组成的连接物将治疗药物片段或前药片段与靶向基团结合。靶向基团是一个以细胞表面分子为靶点的配体,例如抗肿瘤细胞上的细胞表面受体。该配体可能仅作为靶向基团,也可能本身具有治疗效果。在给药公式I的治疗药物和靶向共轭物并使共轭物暴露于特异于底物的蛋白酶的情况下,连接物被切割,靶向基团与共轭物分离,导致药物片段或前药片段转化为药物或前药。所述的共轭物在抗肿瘤疗法中很有用。还提供了制备治疗药物和靶向共轭物及其中间体的方法,以及包含治疗药物和靶向共轭物的试剂盒。
  • [EN] COMPOUNDS COMPRISING CLEAVABLE LINKER AND USES THEREOF<br/>[FR] COMPOSÉS COMPRENANT UN LIEUR CLIVABLE ET LEURS UTILISATIONS
    申请人:INTOCELL INC
    公开号:WO2019008441A1
    公开(公告)日:2019-01-10
    Provided are a compound including a cleavable linker, a use thereof, and an intermediate compound for preparing the same, and more particularly, the compound including a cleavable linker of the present invention may include an active agent (for example, a drug, a toxin, a ligand, a probe for detection, etc.) having a specific function or activity, a SO2 functional group which is capable of selectively releasing the active agent, and a functional group which triggers a chemical reaction, a physicochemical reaction and/or a biological reaction by external stimulation, and may further include a ligand (for example, oligopeptide, polypeptide, antibody, etc.) having binding specificity for a desired target receptor.
    提供了一种包括可切割连接物的化合物,其用途,以及用于制备该化合物的中间体化合物,更具体地,本发明的包括可切割连接物的化合物可能包括具有特定功能或活性的活性剂(例如,药物,毒素,配体,用于检测的探针等),能够选择性释放活性剂的SO2官能团,以及通过外部刺激触发化学反应,物理化学反应和/或生物反应的官能团,并且还可以包括具有与所需靶受体结合特异性的配体(例如,寡肽,多肽抗体等)。
  • [EN] LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS<br/>[FR] PROMÉDICAMENTS LIPIDIQUES ORIENTANT VERS LE SYSTÈME LYMPHATIQUE
    申请人:ARIYA THERAPEUTICS INC
    公开号:WO2019046491A1
    公开(公告)日:2019-03-07
    The present invention provides lymphatic system-directing lipid prodrugs, pharmaceutical compositions thereof, methods of producing such prodrugs and compositions, as well as methods of improving the bioavailability or other properties of a therapeutic agent that comprises part of the lipid prodrug. The present invention also provides methods of treating a disease, disorder, or condition such as those disclosed herein, comprising administering to a patient in need thereof a provided lipid prodrug or a pharmaceutical composition thereof.
    本发明提供了淋巴系统定向脂质前药,其制药组合物,制备这种前药和组合物的方法,以及改善作为脂质前药一部分的治疗剂的生物利用度或其他性质的方法。本发明还提供了治疗疾病、紊乱或症状的方法,包括向需要的患者施用所提供的脂质前药或其制药组合物。
  • [EN] PROSTATE-SPECIFIC MEMBRANE ANTIGEN ANTIBODY DRUG CONJUGATES<br/>[FR] CONJUGUÉS ANTICORPS-MÉDICAMENT D'ANTIGÈNE MEMBRANAIRE SPÉCIFIQUE À LA PROSTATE
    申请人:AMBRX INC
    公开号:WO2013185117A1
    公开(公告)日:2013-12-12
    This invention relates to prostate-specific membrane antigen (PSMA) antibodies and antibody drug conjugates comprising at least one non-naturally-encoded amino acid. Disclosed herein are αPSMA antibodies with one or more non-naturally encoded amino acids and further disclosed are antibody drug conjugates wherein the αPSMA antibodies of the invention are conjugated to one or more toxins. Also disclosed herein are non-natural amino acid dolastatin analogs that are further modified post-translationally, methods for effecting such modifications, and methods for purifying such dolastatin analogs. Typically, the modified dolastatin analogs include at least one oxime, carbonyl, dicarbonyl, and/or hydroxylamine group. Further disclosed are methods for using such non-natural amino acid antibody drug conjugates, dolastatin analogs, and modified non-natural amino acid dolastatin analogs, including therapeutic, diagnostic, and other biotechnology uses.
    本发明涉及前列腺特异性膜抗原(PSMA)抗体及包含至少一个非天然编码氨基酸抗体药物偶联物。公开了具有一个或多个非天然编码氨基酸的αPSMA抗体,以及进一步公开了抗体药物偶联物,其中本发明的αPSMA抗体与一个或多个毒素偶联。还公开了非天然氨基酸多拉司汀类似物,这些类似物在翻译后进一步修饰,以及实现这些修饰的方法和纯化这些多拉司汀类似物的方法。通常,修饰的多拉司汀类似物包括至少一个、羰基、二羰基和/或羟基胺基团。进一步公开了使用此类非天然氨基酸抗体药物偶联物、多拉司汀类似物和修饰的非天然氨基酸多拉司汀类似物的方法,包括治疗、诊断和其他生物技术用途。
  • [EN] HUMANIZED ANTI-TN-MUC1 ANTIBODIES AND THEIR CONJUGATES<br/>[FR] ANTICORPS ANTI-TN-MUC1 HUMANISÉS ET LEURS CONJUGUÉS
    申请人:CANCER REC TECH LTD
    公开号:WO2015159076A1
    公开(公告)日:2015-10-22
    Humanized anti-Tn-MUC1 antibodies and conjugates thereof. Conjugates comprising pyrrolobenzodiazepines (PBDs) having a labile protecting group in the form of a linker to the antibody are described.
    人性化抗Tn-MUC1抗体及其结合物。描述了包含吡咯苯并二氮杂环己烷PBDs)的结合物,其具有作为连接物的不稳定保护基团。
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