6-Amino-5-oxohexahydro-5H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid | 106863-17-6

• 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: 6-Amino-5-oxohexahydro-5H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
• 英文别名: 6-amino-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
• CAS: 106863-17-6
• 化学式: C₈H₁₂N₂O₃S
• 分子量: 216.26
• InChiKey: XAXZLKYYVQEPGD-UHFFFAOYSA-N

物化性质

• 沸点：
  500.9±50.0 °C(Predicted)
• 密度：
  1.52±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• PEPTIDES AND PEPTIDOMIMETIC COMPOUNDS, THE MANUFACTURING THEREOF AS WELL AS THEIR USE FOR PREPARING A THERAPEUTICALLY AND/OR PREVENTIVELY ACTIVE PHARMACEUTICAL COMPOSITION
  申请人：PETZELBAUER Peter

  公开号：US20100081787A1

  公开（公告）日：2010-04-01

  Peptides, peptidomimetics and derivatives thereof of the general formula I: H 2 N-GHRPX 1 - β -X 4 X 5 X 6 X 7 X 8 X 9 X 10 -X 11 (I), in which X 1 -X 10 denote one of the 20 genetically coded amino acids, wherein X 8 , X 9 and X 10 may also denote a single chemical bond; X 11 denotes OR 1 in which R 1 equals hydrogen or (C 1 -C 10 ) alkyl NR 2 R 3 with R 2 and R 3 are equal or different and denote hydrogen, (C 1 -C 10 ) alkyl, or a residue —W-PEG 5-60K , in which the PEG residue is attached via a suitable spacer W to the N-atom, or a residue NH—Y-Z-PEG 5-60K , in which Y denotes a chemical bond or a genetically coded amino acids from the group S, C, K or R and Z denotes a spacer, via which a polyethylene glycol (PEG)-residue can be attached, and their physiologically acceptable salts, and β denotes an amino acid, or a peptidomimetic element, which induces a bend or turn in the peptide backbone.

  通用公式I：H2N-GHRPX1-β-X4X5X6X7X8X9X10-X11(I)中的肽、肽类似物和衍生物，其中X1-X10表示20种遗传编码的氨基酸之一，其中X8、X9和X10也可以表示单一化学键；X11表示OR1，其中R1等于氢或(C1-C10)烷基NR2R3，其中R2和R3相同或不同，表示氢、(C1-C10)烷基，或者残基—W-PEG5-60K，其中PEG残基通过适当的间隔物W连接到N-原子，或者残基NH—Y-Z-PEG5-60K，其中Y表示化学键或来自S、C、K或R组的遗传编码氨基酸，Z表示间隔物，通过该间隔物可以连接聚乙二醇（PEG）残基，并且它们的生理上可接受的盐，β表示氨基酸或诱导肽骨架中弯曲或转弯的肽类或肽类似元素。
• Tetrapeptide analogs
  申请人：Chao Bin

  公开号：US20100190688A1

  公开（公告）日：2010-07-29

  Compounds, compositions and methods for treatment of hyperproliferative diseases, such as cancer are provided.

  提供了用于治疗过度增殖性疾病，如癌症的化合物、组合物和方法。
• Tripeptides as caspase modulators
  申请人：Idun Pharmaceuticals, Inc.

  公开号：EP2457896A1

  公开（公告）日：2012-05-30

  Compounds, compositions and methods for treatment of hyperproliferative diseases, such as cancer are provided. or a pharmaceutically acceptable derivative thereof, where: M is CO, SO or SO2; R1sand R2s are selected as follows: (i) R1s is hydrogen, alkyl, alkenyl, alkynyl, aryl, heteroaryl, cycloalkyl or heterocyclyI; and R2s is selected from hydrogen, alkenyl, alkynyl, aryl, heteroaryl, cycloalkyl, heterocyclyl, OR11 and NR15R16, or (ii) R 1sand R2s together with the nitrogen atom on which they are substituted form a heterocyclic or heteroaryl ring; R3s, R4s and R5s are each independently selected from (i) or (ii) as follows: (i) R3s is hydrogen or alkyl; R4s is alkyl; and R5s is selected from hydrogen, alkyl, alkenyl, alkynyl, aryl, heteroaryl, heteroarylium, cycloalkyl, heterocyclyl and NR15R16; (ii )R5s and R3s or R5s and R4s together with the atoms on which they are substituted form heterocyclic or heteroaryl ring and the other of R3s or R4s is selected as (ii); R6s is hydrogen, lower alkyl, lower alkenyl or lower alkynyl; R7s is hydrogen, alkyl, alkenyl, alkynyl, aryl, heteroaryl, cycloalkyl or heterocyclyl. The other variables are as defined in the claims.

  本研究提供了用于治疗过度增殖性疾病（如癌症）的化合物、组合物和方法。 或其药学上可接受的衍生物、 其中 M 是 CO、SO 或 SO2； R1s 和 R2s 选取如下： (i) R1s 是氢、烷基、烯基、炔基、芳基、杂芳基、环烷基或杂环烷基；R2s 选自氢、烯基、炔基、芳基、杂芳基、环烷基、杂环烷基、 OR11 和 NR15R16，或 (ii) R 1s 和 R2s 与它们被取代的氮原子一起形成杂环或杂芳基环； R3s、R4s 和 R5s 各自独立地选自如下的 (i) 或 (ii)： (i) R3s 是氢或烷基；R4s 是烷基；R5s 选自氢、烷基、烯基、炔基、芳基、杂芳基、杂芳脲基、环烷基、杂环烷基和 NR15R16； (ii)R5s 和 R3s 或 R5s 和 R4s 与它们被取代的原子一起形成杂环或杂芳基环，且 R3s 或 R4s 中的另一个选为(ii)； R6s 是氢、低级烷基、低级烯基或低级炔基； R7s 是氢、烷基、烯基、炔基、芳基、杂芳基、环烷基或杂环烷基。 其他变量如权利要求中所定义。
• Method of identifying inhibitors of CDC25
  申请人：——

  公开号：US20020183249A1

  公开（公告）日：2002-12-05

  The present invention relates to polypeptides which comprise the ligand binding domain of Cdc25, crystalline forms of these polypeptides and the use of these crystalline forms to determine the three dimensional structure of the catalytic domain of Cdc25. The invention also relates to the use of the three dimensional structure of the Cdc25 catalytic domain in methods of designing and/or identifying potential inhibitors of Cdc25 activity, for example, compounds which inhibit the binding of a native substrate to the Cdc25 catalytic domain.

  本发明涉及包含 Cdc25 配体结合结构域的多肽、这些多肽的结晶形式以及利用这些结晶形式确定 Cdc25 催化结构域的三维结构。本发明还涉及将 Cdc25 催化结构域的三维结构用于设计和/或鉴定 Cdc25 活性的潜在抑制剂的方法，例如，抑制原生底物与 Cdc25 催化结构域结合的化合物。
• METHOD OF IDENTIFYING INHIBITORS OF CDC25
  申请人：BASF AKTIENGESELLSCHAFT

  公开号：EP1226237A2

  公开（公告）日：2002-07-31