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(trans-4-Aminocyclohexyl)acetic acid | 2952-00-3

中文名称
——
中文别名
——
英文名称
(trans-4-Aminocyclohexyl)acetic acid
英文别名
trans-2-(4-aminocyclohexyl)acetic acid;(trans-4-amino-cyclohexyl)-acetic acid;(trans-4-Amino-cyclohexyl)-essigsaeure;trans-(4-amino-cyclohexyl)-acetic acid
(trans-4-Aminocyclohexyl)acetic acid化学式
CAS
2952-00-3
化学式
C8H15NO2
mdl
——
分子量
157.213
InChiKey
XVDSFSRMHSDHGJ-LJGSYFOKSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    308-310 °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

安全信息

  • 海关编码:
    2922499990

SDS

SDS:1f10c2fce9de7c3523856a51a66a2acb
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上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    (trans-4-Aminocyclohexyl)acetic acid盐酸二异丁基氢化铝三乙胺 作用下, 以 二氯甲烷甲苯 为溶剂, 反应 4.5h, 生成 TERT-BUTYL TRANS-4-(2-OXOETHYL)CYCLOHEXYLCARBAMATE
    参考文献:
    名称:
    Structure–Activity Study of N-((trans)-4-(2-(7-Cyano-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)cyclohexyl)-1H-indole-2-carboxamide (SB269652), a Bitopic Ligand That Acts as a Negative Allosteric Modulator of the Dopamine D2 Receptor
    摘要:
    We recently demonstrated that 5B269652 (1) engages one protomer of a dopamine D-2 receptor (D2R) dimer in a bitopic mode to allosterically inhibit the binding of dopamine at the other protomer. Herein, we investigate structural determinants for allostery, focusing on modifications to three moieties within 1. We find that orthosteric "head" groups with small 7-substituents were important to maintain the limited negative cooperativity of analogues of 1, and replacement of the tetrahydroisoquinoline head group with other D2R "privileged structures" generated orthosteric antagonists. Additionally, replacement of the cyclohexylene linker with polymethylene chains conferred linker length dependency in allosteric pharmacology. We validated the importance of the indolic NH as a hydrogen bond donor moiety for maintaining allostery. Replacement of the indole ring with azaindole conferred a 30-fold increase in affinity while maintaining negative cooperativity. Combined, these results provide novel SAR insight for bitopic ligands that act as negative allosteric modulators of the D2R.
    DOI:
    10.1021/acs.jmedchem.5b00581
  • 作为产物:
    参考文献:
    名称:
    Growth hormone-inhibiting activity of cortistatin in the rat
    摘要:
    Cortistatin-14 (CST-14) is an endogenous neuropeptide with notable structural similarities to native somatostatin-14 (SS-14), but different physiological functions. Differences in the physiology of the two peptides do not provide conclusive evidence for a specific receptor for CST. To date, the effects of CST-14 on anterior pituitary hormones have never been reported. Aim of this study was to investigate the in vivo effects of CST-14 on GH secretion in comparison to SS-14. Our results demonstrate that CST-14 was very effective in reducing GH secretion in normal male anaesthetized rats. Its activity was similar to that of SS-14 and had a rapid onset and a slightly longer duration of action. In conclusion, we have reported for the first time that CST is a potent and effective inhibitor of GH release in rats and that its action may be mediated by the interaction with one or different SS receptor subtypes. (C) 2001, Editrice Kurtis.
    DOI:
    10.1007/bf03343939
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文献信息

  • [EN] 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE LA 3-PHOSPHOGLYCÉRATE DÉSHYDROGÉNASE ET LEURS UTILISATIONS
    申请人:RAZE THERAPEUTICS INC
    公开号:WO2017156177A1
    公开(公告)日:2017-09-14
    The present invention provides compounds, compositions thereof, and methods of using the same.
    本发明提供了化合物、其组合物以及使用这些化合物的方法。
  • BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS
    申请人:Gobbi Luca
    公开号:US20090042943A1
    公开(公告)日:2009-02-12
    The present invention relates to compounds of formula (I) wherein R 1 and A are as defined in the specification as dual modulators of the serotonin 5-HT 2a and dopamine D 3 receptors, their manufacture, pharmaceutical compositions containing them and their use as medicaments. Compounds of general formula (I) have high affinity for the dopamine D 3 and serotonin (5-Hydroxytryptamine; 5-HT) 5-HT 2A receptors and are effective in the treatment of psychotic disorders, as well as other diseases such as depression and anxiety, drug dependence, dementias and memory impairment.
    本发明涉及以下式(I)的化合物 其中R 1 和A如说明书中定义的作为血清素5-HT 2a 和多巴胺D 3 受体的双调节剂,它们的制备,含有它们的药物组合物以及它们作为药物的用途。一般式(I)的化合物对多巴胺D 3 和血清素(5-羟色胺;5-HT)5-HT 2A 受体具有高亲和力,并且在治疗精神分裂症等疾病以及抑郁症、焦虑症、药物依赖、痴呆症和记忆障碍等其他疾病中具有有效性。
  • [EN] M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DU RECEPTEUR D'ACETYLCHOLINE MUSCARINIQUE M3
    申请人:GLAXO GROUP LTD
    公开号:WO2005094835A1
    公开(公告)日:2005-10-13
    Muscarinic Acetylcholine receptor antagonists and methods of using them are provided.
    提供了肌氨酸乙酰胆碱受体拮抗剂及其使用方法。
  • D3 AND 5-HT2A RECEPTOR MODULATORS
    申请人:Gobbi Luca
    公开号:US20100075983A1
    公开(公告)日:2010-03-25
    The present invention provides compounds of the general formula (I) wherein X, n and R 1 are as described herein, as well as pharmaceutically acceptable salts and esters thereof, methods for their manufacture, pharmaceutical compositions containing them and their use as medicaments. The active compounds of the present invention are dual modulators of the serotonin 5-HT 2a and dopamine D 3 receptors, useful in the treatment and/or the prevention of cognitive disorders, drug addiction, depression, anxiety, drug dependence, dementias, memory impairment, psychotic disorders comprising schizophrenia, schizoaffective disorders, bipolar disease, mania, psychotic depression, and psychoses comprising paranoia and delusions.
    本发明提供了一般式(I)的化合物,其中X、n和R1如本文所述,以及其药学上可接受的盐和酯,其制备方法,含有它们的药物组合物以及它们作为药物的用途。本发明的活性化合物是血清素5-HT2a和多巴胺D3受体的双调节剂,在认知障碍、药物成瘾、抑郁症、焦虑症、药物依赖、痴呆症、记忆障碍、包括精神分裂症、情感性精神障碍、双相情感障碍、躁狂症、精神抑郁症以及偏执狂和妄想的精神病等的治疗和/或预防中有用。
  • 2,3-oxidosqualene-lanosterol cyclase inhibitors
    申请人:——
    公开号:US20020045777A1
    公开(公告)日:2002-04-18
    The present invention relates to aminocyclohexanol derivatives useful for the treatment and/or prophylaxis of diseases which are associated with 2,3-oxidosqualene-lanosterol cyclase such as hypercholesterolemia, hyperlipemia, arteriosclerosis, vascular diseases, mycoses, gallstones, tumors and/or hyperproliferative disorders, and treatment and/or prophylaxis of impaired glucose tolerance and diabetes.
    本发明涉及环己醇生物,用于治疗和/或预防与2,3-氧化甾二烯-鲨烯合酶相关的疾病,如高胆固醇血症、高脂血症、动脉硬化、血管疾病、真菌病、胆结石、肿瘤和/或增生性疾病,以及治疗和/或预防糖耐量受损和糖尿病。
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