| 1334524-27-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• CAS: 1334524-27-4
• 化学式: C₅₈H₇₃NO₁₈S₂
• 分子量: 1136.35
• InChiKey: OVGSQMGGCVPAIS-UYYBNWJDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  79.0
• 可旋转键数：
  19.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  273.89
• 氢给体数：
  4.0
• 氢受体数：
  19.0

反应信息

• 作为反应物：
  描述：

  、 1-氨基-11-叠氮-3,6,9-三氧杂十一烷 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以72%的产率得到
  参考文献：
  名称：

  Targeted and armed oncolytic adenovirus via chemoselective modification

  摘要：

  Oncolytic adenoviruses (Ads) are an emerging alternative therapy for cancer; however, clinical trial have not yet demonstrated sufficient efficacy. When oncolytic Ads are used in combination with taxoids a synergistic increase in both cytotoxicity and viral replication is observed. In order to generate a next generation oncolytic adenovirus, virion were physically conjugated to a highly potent taxoid, SB-T-1214, and a folate targeting motif. Conjugation was enabled via the metabolic incorporation of non-canonical monosaccharides (O-GlcNAz) and amino acids (homopropargylglycine), which served as sites for chemoselective modification. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.039
• 作为产物：
  描述：

  SB-T-1214 在 吡啶 、 4-二甲氨基吡啶 、 氢氟酸 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 41.0h， 生成
  参考文献：
  名称：

  [EN] SYNTHESIS OF NOVEL ASYMMETRIC BOW-TIE PAMAM DENDRIMER-BASED CONJUGATES FOR TUMOR-TARGETING DRUG DELIVERY
  [FR] SYNTHÈSE DE NOUVEAUX CONJUGUÉS ASYMÉTRIQUES À BASE D'UN DENDRIMÈRE PAMAM EN NŒUD PAPILLON POUR ADMINISTRATION DE MÉDICAMENTS CIBLÉE VERS UNE TUMEUR

  摘要：

  本公开涉及一种公式为Vm-D-C-D'-(T-F)n的基于树状聚合物的结合物，该结合物对于肿瘤靶向药物传递很有用。不对称树状聚合物的使用可以实现特定的靶向以及合成的可重复性。

  公开号：

  WO2015038493A1

文献信息

• [EN] THERAPEUTIC AGENT FOR TREATING TUMORS<br/>[FR] AGENT THÉRAPEUTIQUE POUR LE TRAITEMENT DE TUMEURS
  申请人：UNIV NEW YORK STATE RES FOUND

  公开号：WO2015143092A1

  公开（公告）日：2015-09-24

  The present disclosure relates to a therapeutic agent of the formula: Z-C(=O)-(CH2)n-ϕ-S-S-(CRR')m-(CH2)p-C(=O)- NH-(CH2)q-NH-Y[NH-(CH2)r-X-T-W][NH-(CH2-CH-O)t (CH2)s-NH-V] Formula I or a pharmaceutically acceptable salt thereof, useful for treating tumors, including cancers. Where the compound of Formula I also contains a radionuclide or an imaging agent or both, the compound of formula I is a theranostic agent useful for treating and diagnosing tumors, including cancers.

  本公开涉及一种治疗剂，其化学式为：Z-C(=O)-(CH2)n-ϕ-S-S-(CRR')m-( )p-C(=O)- NH-( )q-NH-Y[NH-( )r-X-T-W][NH-( -CH-O)t ( )s-NH-V] 化学式I或其药学上可接受的盐，用于治疗肿瘤，包括癌症。化合物I的化学式还包含放射性核素或成像剂或两者的情况下，化合物I是一种治疗和诊断肿瘤，包括癌症的治疗剂。
• Design, Synthesis, and Biological Evaluations of Tumor-Targeting Dual-Warhead Conjugates for a Taxoid–Camptothecin Combination Chemotherapy
  作者：Jacob G. Vineberg、Edison S. Zuniga、Anushree Kamath、Ying-Jen Chen、Joshua D. Seitz、Iwao Ojima

  DOI：10.1021/jm500631u

  日期：2014.7.10

  Novel tumor-targeting dual-warhead conjugates, 2 (DW-1) and 3 (DW-2), which consist of a next-generation taxoid, 1 (SB-T-1214), and camptothecin as two warheads, self-immolative disulfide linkers for drug release, biotin as the tumor-targeting moiety, and 1,3,5-triazine as the tripod splitter module, were designed and synthesized. The potency of 2 was evaluated against MX-1, MCF-7, ID8, L1210FR (BR+, biotin receptor overexpressed) and WI38 (BR-, normal) cell lines in the absence and presence of glutathione (GSH), which is an endogenous thiol that triggers drug release inside the cancer cells. With the GSH and resuspension protocol, 2 exhibited IC50 values of 3.22-9.80 nM against all BR+ cancer cell lines, and 705 nM against WI38. Thus, there was a two orders of magnitude higher selectivity to cancer cells. Also, a clear cooperative effect was observed for the taxoid-camptothecin combination when two drugs were delivered to the cancer cells specifically in the form of a dual-warhead conjugate.