(cis-4-amino-cyclohexyl)-acetic acid | 2952-01-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (cis-4-amino-cyclohexyl)-acetic acid
• 英文别名: (cis-4-amino-cyclohexyl)-acetic acid；(cis-4-Amino-cyclohexyl)-essigsaeure
• CAS: 2952-01-4
• 化学式: C₈H₁₅NO₂
• 分子量: 157.213
• InChiKey: XVDSFSRMHSDHGJ-KNVOCYPGSA-N

物化性质

• 熔点：
  287 °C
• 沸点：
  301.3±15.0 °C(Predicted)
• 密度：
  1.075±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.98
• 重原子数：
  11.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  63.32
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (cis-4-amino-cyclohexyl)-acetic acid 在 吡啶 、 盐酸 作用下， 反应 7.0h， 生成 cis-4-aminocyclohexylacetic acid methyl ester
  参考文献：
  名称：

  cis- and trans-4-aminocyclohexylacetic acids and their diethylenimido(thio)phosphoryl derivatives

  摘要：

  DOI：

  10.1007/bf00951237
• 作为产物：
  描述：

  Bicyclo<2.2.2>octanon-oxim 在 盐酸 、 PPA 作用下， 生成 (cis-4-amino-cyclohexyl)-acetic acid
  参考文献：
  名称：

  Reinisch,G. et al., Chemische Berichte, 1966, vol. 99, p. 856 - 861

  摘要：

  DOI：

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。
• BBETA-15-42 FOR THE TREATMENT OF VIRAL ENDOTHELITIS
  申请人：Johann Wolfgang Goethe-Universität Frankfurt am Main

  公开号：EP3912679A1

  公开（公告）日：2021-11-24

  The invention is based on the fibrin-derived peptides as therapeutic compounds for the treatment of inflammatory complications of virally caused diseases, such as a diffuse inflammation of the endothelium, also known as systemic endotheliitis or vasculitis and related disorders. The use of certain fibrin derived peptides and analogues of these compounds resulted in a surprisingly effective patient recovery.

  本发明基于纤维蛋白衍生肽作为治疗化合物，用于治疗病毒引起的疾病的炎症并发症，如内皮细胞弥漫性炎症，也称为系统性内皮细胞炎或血管炎及相关疾病。使用某些纤维蛋白衍生肽和这些化合物的类似物后，病人的康复效果令人惊讶。
• Acceleration of Mycobacterium growth
  申请人：ST GEORGE'S HOSPITAL MEDICAL SCHOOL

  公开号：US10633630B2

  公开（公告）日：2020-04-28

  The invention is in the field of growth of Mycobacteria. In particular, agents have been identified which enhance the growth of Mycobacterial species, which are naturally slow-growing. Such agents can therefore be used in the identification of Mycobacteria and in the diagnosis of Mycobacterial infections.

  本发明属于分枝杆菌生长领域。特别是，已经发现了能促进自然生长缓慢的分枝杆菌生长的制剂。因此，这些制剂可用于分枝杆菌的鉴定和分枝杆菌感染的诊断。
• Synthesis of analogs of N-(2-chloroethyl)-N'-(trans-4-methylcyclohexyl)-N-nitrosourea for evaluation as anticancer agents
  作者：Thomas P. Johnston、George S. McCaleb、Sarah D. Clayton、Jerry L. Frye、Charles A. Krauth、John A. Montgomery

  DOI：10.1021/jm00212a019

  日期：1977.2

  The superior activity of N-(2-chloroethyl)-N'-(trans-4-methylcyclohexyl)-N-nitrosourea (MeCCNU) against advanced murine Lewis lung carcinoma in comparisons with the cis form and other nitrosoureas prompted the synthesis of a number of MeCCNU analogues, including several cis-trans pairs. The methyl group was replaced by a variety of substituents (CO2H, CH2CO2H, CO2Me, CH2OAc, CH2Cl, OMe); the trans-3-methylcyclohexyl, cis-2-methyl-1,3-dithian-5-yl, cis- and trans-2-methyl-1,3-dithian-5-yl-tetraoxide, and 1-methylhexyl (open-chain) analogues were also prepared. Preliminary tests against murine leukemia L1210 revealed therapeutic indices (ED50/LD10) ranging from 0.26 to 0.79; all but three analogues effected 50% cure rates at nontoxic doses, the open-chain analogue being one of the least active. In terms of therapeutic index, diequatorial (trans-4) isomers were, with one exception, as active as or, in four of the eight examples, somewhat more active than the corresponding axial-equatorial (cis-4) isomers. In this series, four of the five 2-fluoroethyl analogues prepared were clearly inferior to the corresponding 2-chloroethyl analogues.
• Structural Effects on the Polymerization of Lactams
  作者：H. K. Hall

  DOI：10.1021/ja01556a059

  日期：1958.12