(R)-2-(pyridin-2-yldisulfanyl)propan-1-ol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (R)-2-(pyridin-2-yldisulfanyl)propan-1-ol
• 英文别名: (2R)-2-(pyridin-2-yldisulfanyl)propan-1-ol
• 化学式: C₈H₁₁NOS₂
• 分子量: 201.313
• InChiKey: YXJBAUJMORGGEG-SSDOTTSWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  83.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (R)-2-(pyridin-2-yldisulfanyl)propan-1-ol 在 草酰氯 、 溶剂黄146 、 二甲基亚砜 、 三乙胺 、 柠檬酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 38.83h， 生成 (11S,11aS)-tert-butyl 11-hydroxy-8-((5-(((11S,11aS)-11-hydroxy-7-methoxy-2-methylene-5-oxo-10-(((R)-2-(pyridin-2-yldisulfanyl)propoxy)carbonyl)-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl)oxy)pentyl)oxy)-7-methoxy-2-methylene-5-oxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-10(5H)-carboxylate
  参考文献：
  名称：

  [EN] IMMUNOCONJUGATES COMPRISING ANTI-CD22 ANTIBODIES
  [FR] IMMUNOCONJUGUÉS COMPRENANT DES ANTICORPS ANTI-CD22

  摘要：

  该发明提供了包括抗CD22抗体与吡咯苯并二氮杂苯共价连接的免疫结合物，以及使用这些免疫结合物的方法。

  公开号：

  WO2014011518A1
• 作为产物：
  描述：

  2,2'-二硫二吡啶 、 (R)-2-mercaptopropan-1-ol 在 溶剂黄146 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 以24%的产率得到(R)-2-(pyridin-2-yldisulfanyl)propan-1-ol
  参考文献：
  名称：

  [EN] SPLICEOSTATIN ANALOGS
  [FR] ANALOGUES DE SPLICÉOSTATINE

  摘要：

  本发明涉及新型细胞毒性剪接抑制素类似物（I）及其衍生物，涉及其抗体药物结合物，以及使用它们治疗包括癌症在内的医疗状况的方法。

  公开号：

  WO2014068443A1

文献信息

• [EN] CALICHEAMICIN DERIVATIVES AND ANTIBODY DRUG CONJUGATES THEREOF<br/>[FR] DÉRIVÉS DE CALICHÉAMICINE ET CONJUGUÉS ANTICORPS-MÉDICAMENTS DE CEUX-CI
  申请人：PFIZER

  公开号：WO2018138591A1

  公开（公告）日：2018-08-02

  The present invention is directed to novel calicheamicin derivatives useful as payloads in antibody-drug-conjugates (ADC's), and to payload-linker compounds and ADC compounds comprising the same; to pharmaceutical compositions comprising the same and to methods for using the same to treat pathological conditions such as cancer.

  本发明涉及新型calicheamicin衍生物，用作抗体-药物偶联物（ADC）的有效载荷，以及包含相同有效载荷-连接剂化合物和ADC化合物；涉及包含它们的药物组合物以及使用它们治疗诸如癌症等病理状态的方法。
• PEPTIDE CONJUGATES OF CYTOTOXINS AS THERAPEUTICS
  申请人：Cybrexa 2, Inc.

  公开号：US20210009719A1

  公开（公告）日：2021-01-14

  The present invention relates to peptide conjugates of cytotoxins such as topoisomerase I inhibitors which are useful for the treatment of diseases such as cancer.

  本发明涉及诸如拓扑异构酶I抑制剂之类的细胞毒素的肽偶联物，用于治疗诸如癌症之类的疾病。
• [EN] COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATMENT OF DISEASES INVOLVING ACIDIC OR HYPOXIC DISEASED TISSUES<br/>[FR] COMPOSÉS, COMPOSITIONS ET MÉTHODES POUR LE TRAITEMENT DE MALADIES IMPLIQUANT DES TISSUS MALADES ACIDES OU HYPOXIQUES
  申请人：CYBREXA INC

  公开号：WO2019136298A1

  公开（公告）日：2019-07-11

  Compounds for treatment of diseases having acidic or hypoxic diseased tissues and pharmaceutical compositions comprising the compounds, as well as methods for making and using the compounds and compositions.

  治疗具有酸性或低氧病态组织的疾病的化合物以及包含这些化合物的药物组合物，以及制造和使用这些化合物和组合物的方法。
• PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF
  申请人：GENENTECH, INC.

  公开号：US20140294868A1

  公开（公告）日：2014-10-02

  Conjugate compounds of formula (A): wherein: R 2 is where R 36a and R 36b are independently selected from H, F, C 1-4 saturated alkyl, C 2-3 alkenyl, which alkyl and alkenyl groups are optionally substituted by a group selected from C 1-4 alkyl amido and C 1-4 alkyl ester or, when one of R 36a and R 36b is H, the other is selected from nitrile and a C 1-4 alkyl ester; R 6 and R 9 are independently selected from H, R, OH, OR, SH, SR, NH 2 , NHR, NRR′, NO 2 , Me 3 Sn and halo; R 7 is independently selected from H, R, OH, OR, SH, SR, NH 2 , NHR, NRR′, NO 2 , Me 3 Sn and halo; Y is selected from formulae A1, A2, A3, A4, A5 and A6: L is a linker connected to a cell binding agent; CBA is the cell binding agent; n is an integer selected in the range of 0 to 48; R A4 is a C 1-6 alkylene group; either (a) R 10 is H, and R 11 is OH, OR A , where R A is C 1-4 alkyl; or (b) R 10 and R 11 form a nitrogen-carbon double bond between the nitrogen and carbon atoms to which they are bound; or (c) R 10 is H and R 11 is OSO z M, where z is 2 or 3 and M is a monovalent pharmaceutically acceptable cation; R and R′ are each independently selected from optionally substituted C 1-12 alkyl, C 3-20 heterocyclyl and C 5-20 aryl groups, and optionally in relation to the group NRR′, R and R′ together with the nitrogen atom to which they are attached form an optionally substituted 4-, 5-, 6- or 7-membered heterocyclic ring; wherein R 16 , R 17 , R 19 , R 20 , R 21 and R 22 are as defined for R 6 , R 7 , R 9 , R 10 , R 11 and R 2 respectively; wherein Z is CH or N; wherein T and T′ are independently selected from a single bond or a C 1-9 alkylene, which chain may be interrupted by one or more heteroatoms e.g. O, S, N(H), NMe, provided that the number of atoms in the shortest chain of atoms between X and X′ is 3 to 12 atoms; and X and X′ are independently selected from O, S and N(H).

  将公式（A）的共轭化合物变形：其中：R2是其中R36a和R36b分别独立选择自H、F、C1-4饱和烷基、C2-3烯基，所述烷基和烯基基团可以选择性地被C1-4烷基酰胺和C1-4烷基酯中的一种基团取代，或者当R36a和R36b中的一个是H时，另一个选择自腈和C1-4烷基酯；R6和R9独立选择自H、R、OH、OR、SH、SR、NH2、NHR、NRR′、NO2、Me3Sn和卤素；R7独立选择自H、R、OH、OR、SH、SR、NH2、NHR、NRR′、 、Me3Sn和卤素；Y选择自公式A1、A2、A3、A4、A5和A6；L是连接到细胞结合剂的连接剂；CBA是细胞结合剂；n是选择在0到48范围内的整数；RA4是C1-6烷基基团；要么（a）R10是H，而R11是OH、ORA，其中RA是C1-4烷基；或者（b）R10和R11在氮和碳原子之间形成氮-碳双键；或者（c）R10是H，而R11是OSOzM，其中z为2或3，M是一价的药用可接受阳离子；R和R′各自独立选择自选择性取代的C1-12烷基、C3-20杂环基和C5-20芳基，并且在NRR′基团方面，R和R′与它们连接的氮原子一起形成一个可选择取代的4-、5-、6-或7-成员杂环环；其中R16、R17、R19、R20、R21和R22如R6、R7、R9、R10、R11和R2所定义；其中Z为CH或N；其中T和T′独立选择自单键或C1-9烷基，该链可能被一个或多个杂原子（如O、S、N(H)、NMe）中断，前提是在X和X′之间原子最短链中原子的数量为3到12个原子；X和X′独立选择自O、S和N(H)。
• [EN] PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF<br/>[FR] PYRROLOBENZODIAZÉPINES ET CONJUGUÉS ASSOCIÉS
  申请人：SPIROGEN SARL

  公开号：WO2013055987A1

  公开（公告）日：2013-04-18

  A conjugate of formula (A): the dotted lines indicate the optional presence of a double bond between C1 and C2 or C2 and C3; R2 is independently selected from H, OH, =0, =CH2, CN, R, OR, =CH-RD, =C(RD)2, 0-S02-R, C02R and COR, and optionally further selected from halo or dihalo; where RD is independently selected from R, C02R, COR, CHO, C02H, and halo; R6 and R9 are independently selected from H, R, OH, OR, SH, SR, NH2, NHR, NRR', NO2, Me3Sn and halo; R7is independently selected from H, R, OH, OR, SH, SR, NH2, NHR, NRR', N02, Me3Sn and halo; Y is selected from a single bond, and a group of formulae A1 or A2: where N shows where the group binds to the N10 of the PBD moiety; RL1 and RL2 are independently se!ected from H and methyl, or together with the carbon atom to which they are bound form a cyclopropylene group; CBA represents a cell binding agent; Q is independently selected from O, S and NH; R11 is either H, or R or, where Q is O, S03M, where M is a metal cation; R and R' are each independently selected from optionally substituted C1-12alkyl, C3-20 heterocyclyl and C5-20aryl groups, and optionally in relation to the group NRR', R and R' together with the nitrogen atom to which they are attached form an optionally substituted 4-, 5-; 6- or Z-metfibered heteracyciie ring; wherein R12 R16, R19 and R17 are as defined for R2, R6, R9 and R7 respectively: wherein R" is a C3-12alky!ene group, which chain may be interrupted by one or more heteroatoms, e.g. O, S, N(H}; NMe and/or aromatic rings, e.g. benzene or pyridine, which rings are optional y substituted; X and X' are independently selected from O, S and N(H).

  公式（A）的共轭物：点线表示C1和C2或C2和C3之间的双键的可选存在；R2可独立选择自H、OH、=0、=CH2、CN、R、OR、=CH-RD、=C(RD)2、0-S02-R、C02R和COR，并可选择自卤素或二卤代；其中RD可独立选择自R、C02R、COR、CHO、C02H和卤素；R6和R9可独立选择自H、R、OH、OR、SH、SR、NH2、NHR、NRR'、NO2、Me3Sn和卤素；R7可独立选择自H、R、OH、OR、SH、SR、NH2、NHR、NRR'、N02、Me3Sn和卤素；Y可选择自单键和公式A1或A2的一组：其中N显示该组与PBD基团的N10结合的位置；RL1和RL2可独立选择自H和甲基，或与其结合的碳原子一起形成环丙烯基团；CBA代表细胞结合剂；Q可独立选择自O、S和NH；R11为H、或R，或当Q为O、S03M时，其中M为金属阳离子；R和R'分别可独立选择自可选取代的C1-12烷基、C3-20杂环烷基和C5-20芳基，并可选取代NRR'时，R和R'与其附着的氮原子一起形成可选取代的4-、5-、6-或Z-螯合杂环；其中R12、R16、R19和R17如R2、R6、R9和R7所定义；其中R"为C3-12烷基烯基，该链可由一个或多个杂原子（如O、S、N(H)、NMe）和/或芳香环（如苯或吡啶）中断，这些环可选取代；X和X'可独立选择自O、S和N(H)。