methyl 3-[(2-aminoethyl)sulphanyl]propanoate hydrochloride

• 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: methyl 3-[(2-aminoethyl)sulphanyl]propanoate hydrochloride
• 英文别名: Methyl 3-[(2-aminoethyl)sulfanyl]propanoate hydrochloride；methyl 3-(2-aminoethylsulfanyl)propanoate;hydrochloride
• 化学式: C₆H₁₃NO₂S*ClH
• mdl: MFCD22392246
• 分子量: 199.702
• InChiKey: DTJZYMKXCOJJFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.08
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  77.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 3-[(2-aminoethyl)sulphanyl]propanoate hydrochloride 在 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 生成 三氟乙酸
  参考文献：
  名称：

  ANTIBODY DRUG CONJUGATES (ADCS) AND ANTIBODY PRODRUG CONJUGATES (APDCS) WITH ENZYMATICALLY CLEAVABLE GROUPS

  摘要：

  这项发明涉及新型结合物-前药偶联物（APDCs），其中结合物与动力蛋白纺锤体抑制剂的非活性前体化合物偶联，以及抗体药物偶联物ADCs以及制备这些APDCs和ADCs的方法。

  公开号：

  US20180169256A1

文献信息

• Carbamic acid compounds comprising an ether linkage as hdac inhibitors
  申请人：——

  公开号：US20040198830A1

  公开（公告）日：2004-10-07

  This invention pertains to certain active carbamic acid compounds which inhibit HDAC activity and which have the following formula(l) wherein: A is an aryl group; Q 1 is a covalent bond or an aryl leader group; J is an amide linkage selected from: —NR 1 C(═O)— and —C(═O)NR 1 —; R 1 is an amido substituent; X is an ether heteroatom, and is —O— or —S—; and, R 2 and R 3 are each independently an ether group; and pharmaceutically acceptable salts, solvates, amides, esters, ether chemically protected forms, and prodrugs thereof. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit HDAC, and, e.g., to inhibit proliferative conditions, such as cancer and psoriasis. 1

  本发明涉及某些活性碳酰胺酸化合物，其抑制HDAC活性，并具有以下公式（l）： 其中：A是芳基基团；Q1是共价键或芳基引领基团；J是选择自以下的酰胺连接：—NR1C(═O)—和—C(═O)NR1—；R1是酰胺取代基；X是醚杂原子，且为—O—或—S—；R2和R3各自独立地是醚基；以及其药学上可接受的盐、溶剂化物、酰胺、酯、醚化学保护形式和前药。本发明还涉及包括这种化合物的药物组合物，以及使用这种化合物和组合物来抑制HDAC，例如抑制增生性疾病，如癌症和银屑病，无论在体内还是体外。
• Carbamic acid compounds comprising an ether linkage as HDAC inhibitors
  申请人：Watkins Clare J

  公开号：US06960685B2

  公开（公告）日：2005-11-01

  This invention pertains to certain active carbamic acid compounds which inhibit HDAC activity and which have the following formula: wherein: A is an aryl group; Q 1 is a covalent bond or an aryl leader group; J is an amide linkage selected from: —NR 1 C(═O)— and —C(═O)NR 1 —; R 1 is an amido substituent; X is an ether heteroatom, and is —O— or —S—; and, R 2 and R 3 are each independently an ether group; and pharmaceutically acceptable salts, solvates, amides, esters, ethers, chemically protected forms, and prodrugs thereof. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit HDAC, and, e.g., to inhibit proliferative conditions, such as cancer and psoriasis.

  本发明涉及一些活性碳酸酰化合物，其抑制HDAC活性，其化学式如下： 其中：A是芳基基团；Q1是一个共价键或芳基领导基团；J是从以下选择的酰胺键：-NR1C（═O）-和-C（═O）NR1-；R1是一个酰胺取代基；X是一个醚杂原子，且为-O-或-S-；R2和R3各自独立地为醚基团；以及其药学上可接受的盐、溶剂化物、酰胺、酯、醚、化学保护形式和前药。本发明还涉及包含这种化合物的制药组合物，以及在体内外使用这种化合物和组合物来抑制HDAC，例如抑制增殖性疾病，如癌症和牛皮癣。
• Antibody drug conjugates (ADCs) with kinesin spindel protein (KSP)
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US10022453B2

  公开（公告）日：2018-07-17

  The present application relates to novel antibody drug conjugates (ADCs), to active metabolites of these ADCs, to processes for preparing these ADCs, to the use of these ADCs for the treatment and/or prophylaxis of diseases and to the use of these ADCs for preparing medicaments for treatment and/or prevention of diseases, in particular hyperproliferative and/or angiogenic disorders such as, for example, cancer diseases. Such treatments can be carried out as monotherapy or else in combination with other medicaments or further therapeutic measures.

  本申请涉及新型抗体药物共轭物（ADCs）、这些ADCs的活性代谢物、制备这些ADCs的工艺、使用这些ADCs治疗和/或预防疾病，以及使用这些ADCs制备治疗和/或预防疾病的药物，特别是过度增殖和/或血管生成性疾病，例如癌症。这种治疗可以作为单一疗法进行，也可以与其他药物或进一步的治疗措施结合使用。
• Antibody drug conjugates (ADCS) and antibody prodrug conjugates (APDCS) with enzymatically cleavable groups
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：US11123439B2

  公开（公告）日：2021-09-21

  The present invention relates to novel binder-prodrug conjugates (APDCs) where binders are conjugated with inactive precursor compounds of kinesin spindle protein inhibitors, and to antibody-drug conjugates ADCs and to processes for producing these APDCs and ADCs.

  本发明涉及新型粘合剂-药物共轭物（APDCs），其中粘合剂与驱动蛋白纺锤体蛋白抑制剂的非活性前体化合物共轭；本发明还涉及抗体-药物共轭物 ADCs 以及生产这些 APDCs 和 ADCs 的工艺。
• BINDER-KONJUGATE (ADCS) MIT KSP-INHIBITOREN
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：EP3086814A1

  公开（公告）日：2016-11-02