2,2'-二硫代-二(3-硝基吡啶) | 4282-19-3

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 中文名称: 2,2'-二硫代-二(3-硝基吡啶)
• 英文名称: 3,3’-dinitro-2,2’-dipyridinyl disulfide
• 英文别名: 3,3'-dinitro-2,3'-dipyridinyl disulfide；3,3'-dinitro-2,2'-dipyridyl disulfide；3,3'-dinitro-2,2'-dithiodipyridine；2,2'-Bis(3-nitropyridyl)disulfide；bis(3-nitro-2-pyridyl) disulfide；3,3'-dinitro-2,2'-disulfanediyl-bis-pyridine；Pyridine, 2,2'-dithiobis(3-nitro-；3-nitro-2-[(3-nitropyridin-2-yl)disulfanyl]pyridine
• CAS: 4282-19-3
• 化学式: C₁₀H₆N₄O₄S₂
• 分子量: 310.314
• InChiKey: QHSXWDVVFHXHHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  168
• 氢给体数：
  0
• 氢受体数：
  8

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2,2'-二硫代-二(3-硝基吡啶) 在 sodium tetrahydroborate 、 sodium hydride 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 31.0h， 生成 10-allyl-1,6-diazaphenothiazine
  参考文献：
  名称：

  新的10-取代的1,6-二氮杂吩噻嗪的合成，光谱表征和抗癌活性。

  摘要：

  在3-氨基-3'-硝基-2,2'-二吡啶硫醚与3,3'-二硝基-2,2的环化反应中获得了新的吩噻嗪衍生物，为1，6-二氮杂吩噻嗪结构的10-取代的二吡啶并噻嗪。 ′-二吡啶基二硫化物，然后在2-氯-3-硝基吡啶与3-氨基-2-吡啶硫醇钠反应中进行各种烷基化和芳基化反应。噻嗪环形成的反应是通过SN型的Smiles重排进行的。由于烷基化反应可以在噻嗪，嗪或两个氮原子处进行，因此产物结构的阐明基于2D NMR（旋转框架Overhauser效应光谱，相关光谱，异核单量子相干和异核多键相关）光谱。在ñ-甲基化产物。一些10-取代-1,6- diazaphenothizines（5，10，12，13）为至少抗癌抗黑色素瘤C-32和乳腺癌MCF-7细胞系作为参考药物活性-顺铂。事实证明，单氮杂吩噻嗪药物前苯二酚的活性低于1,6-二氮杂吩噻嗪结构的至少6种衍生物。

  DOI：

  10.1007/s00044-016-1646-3
• 作为产物：
  描述：

  2,2'-二硫双(5-硝基吡啶) 在 silver trifluoromethanesulfonate 作用下， 以 甲醇 为溶剂， 反应 8.0h， 生成 2,2'-二硫代-二(3-硝基吡啶)
  参考文献：
  名称：

  3,3′-Dinitro-2,2′-dithiodipyridine

  摘要：

  In the title compound, C10H6N4O4S2, (I), the molecule has a centre of inversion. The structure is a positional isomer of 5,5'-dinitro-2,2'-dithiodipyridine [Brito, Mundaca, Cardenas, Lopez-Rodriguez & Vargas (2007). Acta Cryst. E63, o3351-o3352], (II). The 3-nitropyridine fragment of (I) shows excellent agreement with the bonding geometries of (II). The most obvious differences between them are in the S-S bond length [2.1167 (12) angstrom in (I) and 2.0719 (11) angstrom in (II)], and in the C-C-ipso-N-ring [119.8 (2)degrees in (I) and 123.9 (3)degrees in (II)] and S-C-C [122.62 (18)degrees in (I) and 116.0 (2)degrees in (II)] angles. The crystal structure of (I) has an intramolecular C-H center dot center dot center dot O interaction, with an H center dot center dot center dot O distance of 2.40 (3) angstrom, whereas this kind of interaction is not evident in (II). The molecules of (I) are linked into centrosymmetric R-4(4)(30) motifs by a C-H center dot center dot center dot O interaction. There are no aromatic pi-pi stacking and no C-H center dot center dot center dot pi(arene) interactions. Compound (I) can be used as a nucleophilic tecton in self-assembly reactions with metal centres of varying lability.

  DOI：

  10.1107/s0108270108001716

文献信息

• [EN] DRUG ANTIBODY CONJUGATES<br/>[FR] CONJUGUÉS MÉDICAMENT-ANTICORPS
  申请人：PHARMA MAR SA

  公开号：WO2021214126A1

  公开（公告）日：2021-10-28

  Drug conjugates having formula [D-(X)b-(AA)w-(T)g-(L)-]n-Ab wherein: D is a drug moiety having the following formula (I) or a pharmaceutically acceptable salt, ester, solvate, tautomer or stereoisomer thereof, (I) wherein D is covalently attached via a hydroxy or amine group to (X)b if any, or (AA)w if any, or to (T)g if any, or (L); that are useful in the treatment of cancer.

  药物偶联物具有公式[D-(X)b-(AA)w-(T)g-(L)-]n-Ab，其中：D是具有以下公式(I)或药用可接受盐、酯、溶剂化物、互变异构体或立体异构体的药物部分，(I)其中D通过羟基或胺基与(X)b（如果有）、或(AA)w（如果有）、或(T)g（如果有）或(L)共价连接；在癌症治疗中有用。
• DYE CONJUGATES AND METHODS OF USE
  申请人：Dehghani Ali

  公开号：US20100291706A1

  公开（公告）日：2010-11-18

  The present invention relates to cyanine compounds, compositions comprising them, articles of manufacture, and methods of making and using them. The cyanines usefully comprise one or more carboxyl groups or derivatives thereof that are indirectly attached to an aryl ring on an alkylaryl cyanine substituent. Also provided are conjugates of the disclosed cyanines and one or more other substances. Solvates, solutions, and derivatized forms of the cyanines are also provided. The cyanines find use in a variety of bioassays, both in direct single-label applications and in energy transfer formats. Methods utilizing the disclosed cyanines for analyzing a sample for a target are provided. Also disclosed are detection complexes comprising the disclosed cyanines, as well as compositions and articles comprising the cyanines in an excited state, for example formed by direct excitation or by energy transfer. The cyanines may be used as alternatives to other known optically active species in a variety of settings. Other embodiments are described further herein.

  本发明涉及青色素化合物、包含它们的组合物、制造品以及它们的制造和使用方法。有用的青色素包含一个或多个羧基或其衍生物，这些羧基或其衍生物间接连接到烷基芳基青色素取代基上的芳环上。还提供了所披露的青色素与一个或多个其他物质的结合物。还提供了青色素的溶剂化物、溶液和衍生化形式。青色素在多种生物检测中找到了用途，既适用于直接单标记应用，也适用于能量转移格式。提供了利用所披露的青色素分析样品中目标物的方法。还披露了包含所披露青色素的检测复合物，以及包含处于激发态的青色素的组成和物品，例如通过直接激发或能量转移形成的。青色素可以用作各种场合中其他已知光活性物种的替代品。其他实施方式在本发明中进一步描述。
• Labeled oligonucleotides, methods for making same, and compounds useful therefor
  申请人：——

  公开号：US20030208061A1

  公开（公告）日：2003-11-06

  Selectively functionalized oligonucleotides, methods for making same, and compounds useful therefor are disclosed. The oligonucleotides can be selectively functionalized with a first conjugate group at the 3′-terminial position and optionally functionalized with a second conjugate group at the 5′-terminal position and/or one or more internucleotides. Alternatively, the oligonucleotides can be selectively functionalized with a first conjugate group at the 5′-terminal position and optionally functionalized with a second conjugate group at one or more internucleotides. In yet another embodiment, the oligonucleotides can be functionalized with a first conjugate group at one or more internucleotides and with a second conjugate group at one or more different internucleotides.

  选择性功能化寡核苷酸，制备方法以及用于此目的的化合物已被披露。这些寡核苷酸可以在3'-末端位置选择性地与第一共轭基团功能化，并可选择性地在5'-末端位置和/或一个或多个核苷酸之间与第二共轭基团功能化。另外，这些寡核苷酸可以在5'-末端位置选择性地与第一共轭基团功能化，并可选择性地在一个或多个核苷酸之间与第二共轭基团功能化。在另一实施方式中，这些寡核苷酸可以在一个或多个核苷酸之间与第一共轭基团功能化，并在一个或多个不同的核苷酸之间与第二共轭基团功能化。
• [EN] DRUG ANTIBODY CONJUGATES<br/>[FR] CONJUGUÉS ANTICORPS-MÉDICAMENTS
  申请人：PHARMA MAR SA

  公开号：WO2021043951A1

  公开（公告）日：2021-03-11

  Drug conjugates having formula [D-(X)b-(AA)w-(T)g-(L)-]n-Ab wherein: D is a drug moiety having the following formula (I) or a pharmaceutically acceptable salt or ester thereof, wherein D is covalently attached via a hydroxy group at OR1, OR3 or ZH, or a thiol group at ZH to (X)b if any, or (AA)w if any, or to (T)g if any, or (L); that are useful in the treatment of cancer.

  药物偶联物具有公式 [D-(X)b-(AA)w-(T)g-(L)-]n-Ab，其中：D 是具有以下公式 (I) 的药物部分或其药用可接受的盐或酯，其中 D 通过 OR1、OR3 或 ZH 处的羟基或 ZH 处的巯基与 (X)b（如果存在）、或 (AA)w（如果存在）、或 (T)g（如果存在）、或 (L) 共价连接；该药物偶联物在癌症治疗中有用。
• [EN] HINDERED DISULFIDE DRUG CONJUGATES<br/>[FR] CONJUGUÉS MÉDICAMENTEUX À PONT DISULFURE ENCOMBRÉ
  申请人：GENENTECH INC

  公开号：WO2017064675A1

  公开（公告）日：2017-04-20

  The invention relates generally to disulfide drug conjugates wherein a linker comprising a sulfur-bearing carbon atom substituted with at least one hydrocarbyl or substituted hydrocarbyl is conjugated by a disulfide bond to a cysteine sulfur atom of a targeting carrier, and wherein the linker is further conjugated to a drug moiety. The invention further relates to activated linker-drug conjugates suitable for conjugation to a targeting carrier by a disulfide bond. The invention further relates to methods for preparing hindered disulfide drug conjugates.

  该发明一般涉及二硫键药物偶联物，其中含有至少一个被至少一个碳氢化合物或取代碳氢化合物所取代的含硫碳原子的连接剂通过二硫键与靶向载体的半胱氨酸硫原子偶联，并且连接剂进一步与药物部分偶联。该发明进一步涉及适合通过二硫键与靶向载体偶联的活化连接剂-药物偶联物。该发明还进一步涉及制备受阻二硫键药物偶联物的方法。