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丁酰基硫代胆碱 | 4555-00-4

中文名称
丁酰基硫代胆碱
中文别名
二苯甲基(6R,7R)-3,4-二甲亚基-8-羰基-7-[(噻吩-2-基乙酰基)氨基]-5-硫杂-1-氮杂二环[4.2.0]辛烷-2-羧酸酯
英文名称
Butyrylthiocholine
英文别名
BTC;S-butyrylthiocholine;BTCh;2-butanoylsulfanylethyl(trimethyl)azanium
丁酰基硫代胆碱化学式
CAS
4555-00-4
化学式
C9H20NOS
mdl
——
分子量
190.33
InChiKey
AWBGQVBMGBZGLS-UHFFFAOYSA-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

计算性质

  • 辛醇/水分配系数(LogP):
    1.5
  • 重原子数:
    12
  • 可旋转键数:
    6
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.89
  • 拓扑面积:
    42.4
  • 氢给体数:
    0
  • 氢受体数:
    2

安全信息

  • 海关编码:
    2930909090

文献信息

  • Combinations
    申请人:Field John Mark
    公开号:US20050065176A1
    公开(公告)日:2005-03-24
    The instant invention relates to a combination of an alpha-2-delta ligand and an AChE inhibitor for use in therapy, particularly in the treatment of pain, particularly neuropathic pain. Particularly preferred alpha-2-delta ligands are gabapentin and pregabalin. Particularly preferred ACHE inhibitors are donepezil (Aricept®), tacrine (cognex®), rivastigmine (Exelon®), physostgmine (Synapton®), galantamine (Reminyl), metrifonate (Promem), neostigmine (Prostigmin) and icopezil.
    该瞬时发明涉及一种α-2-δ配体和AChE抑制剂的组合,用于治疗,特别是用于治疗疼痛,特别是神经病性疼痛的治疗。特别偏爱的α-2-δ配体加巴喷丁和普雷加巴林。特别偏爱的ACHE抑制剂包括多奈哌齐(阿力普特®)、他克林(可格林®)、利伐司特(埃克洛尔®)、生理毒素(斯纳普通®)、加兰他明(瑞莫灵)、美曲(普罗美)、新斯的明(普罗斯的明)和伊科唑。
  • [EN] BETA-AMYLOID-DIRECTED MULTITARGET COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE<br/>[FR] COMPOSÉS À CIBLES MULTIPLES DIRIGÉS CONTRE LA PROTÉINE BÊTA-AMYLOÏDE POUR LE TRAITEMENT DE LA MALADIE D'ALZHEIMER
    申请人:UNIV BARCELONA
    公开号:WO2013167711A1
    公开(公告)日:2013-11-14
    The compounds of formula (I), or its pharmaceutically acceptable salts, or any stereoisomer or mixture thereof, wherein: R1 is a (C1-C2) alkyl radical; R2 and R3 are radicals independently selected from the group consisting of F, CI and methyl R4 is H or OH; A is a birradical selected from the group consisting of -(CH2)n- and -(CH2)-phenyl-(CH2)-; t is an integer from 0 to 1; and n is an integer from 8 to 15, are useful for the treatment of Alzheimer's disease.
    式(I)的化合物,或其药用可接受的盐,或任何立体异构体或混合物,其中:R1是(C1-C2)烷基基团;R2和R3是从F、Cl和甲基组成的基团中独立选择的基团;R4是H或OH;A是从-(CH2)n-和-( )-苯基-( )-组成的双基团中选择的;t是从0到1的整数;n是从8到15的整数,适用于治疗阿尔茨海默病。
  • Indole and indazole derivatives, for the treatment and prophylaxis of cerebral disorders, their preparation and their use
    申请人:SANKYO COMPANY LIMITED
    公开号:EP0562832A1
    公开(公告)日:1993-09-29
    Compounds of formula (I) : [in which R¹ and R² are each hydrogen or various organic groups, p is 0, 1, 2 or 3, U is -CO- or -CH(OR³)- where R³ is hydrogen or a hydroxy-protecting group, V is an optionally unsaturated aliphatic hydrocarbon group and W is a nitrogen-containing group] are useful in the treatment and prophylaxis of dementia especially of the Alzheimer's type.
    化合物的化学式(I):[其中R¹和R²分别为氢或不同的有机基团,p为0、1、2或3,U为-CO-或-CH(OR³)-其中R³为氢或羟基保护基团,V为可选的不饱和脂肪烃基团,W为含氮基团] 在治疗和预防痴呆症,尤其是阿尔茨海默病类型的痴呆症方面是有用的。
  • INDOLINE DERIVATIVES
    申请人:Sugimoto Hachiro
    公开号:US20110294850A1
    公开(公告)日:2011-12-01
    The present invention provides a novel indoline derivative or a pharmacologically acceptable salt thereof or a solvate of the derivative or a salt thereof represented by the following formula (1) that has an excellent butyrylcholinesterase inhibitory activity. In the formula, R 1 represents an alkyl group, a cycloalkyl group, a heterocycloalkyl group, an aryl group, a heteroaryl group, an arylalkyl group, a heteroarylalkyl group, a cycloalkylalkyl group, a heterocycloalkylalkyl group, a dihydrofurylalkyl group, an alkenyl group, a tetrahydronaphthyl group, or an indanyl group; R 2 represents a hydrogen atom, an alkyl group, an arylalkyl group, a cycloalkylalkyl group, a heteroarylalkyl group, a heterocycloalkylalkyl group, an aryl group, or an acyl group; R 3 each independently represents a hydrogen atom, an alkyl group, or a dialkylaminocarbonyl group; R 4 each independently represents a hydrogen atom or an alkyl group; and R 5 represents a hydrogen atom or an alkyl group. Each functional group may have a substituent.
    本发明提供了一种新的吲哚啉生物,或者其药理学上可接受的盐,或者所述衍生物的溶剂或其盐的溶剂,其由以下式(1)所代表,具有优异的丁酰胆碱酯酶抑制活性。在该式中,R1代表烷基,环烷基,杂环烷基,芳基,杂芳基,芳基烷基,杂芳基烷基,环烷基烷基,杂环烷基烷基,二氢呋喃基烷基,烯基,四氢基或吲哚基;R2代表氢原子,烷基,芳基烷基,环烷基烷基,杂芳基烷基,杂环烷基烷基,芳基或酰基;R3各自独立地代表氢原子,烷基或二烷基基甲酰基;R4各自独立地代表氢原子或烷基;R5代表氢原子或烷基。每个功能基团可能有取代基。
  • Butyrylcholinesterase Inhibitors
    申请人:JAL Therapeutics, LLC
    公开号:US20160206635A1
    公开(公告)日:2016-07-21
    Butyrylcholinesterase inhibitors, their formulation, and their use primarily in the treatment of neurodegenerative diseases. These inhibitors generally are phosphates, phosphonates, phosphinates, and phosphoramidates. These inhibitors can be incorporated in pharmaceutical compositions and administered to a patient in therapeutically effective amounts to treat neurodegenerative diseases.
    丁酰胆碱酯酶抑制剂,它们的配方,以及它们主要用于治疗神经退行性疾病。这些抑制剂通常是磷酸酯、膦酸酯、膦酸酯和酰胺酯。这些抑制剂可以被纳入药物组成,并以治疗有效量的方式给患者使用,以治疗神经退行性疾病。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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cnmr
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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