地美溴铵

• 常用名: 地美溴铵
• 英文名: Demecarium bromide
• CAS号: 56-94-0
• 分子量: 716.588
• 密度: N/A
• 沸点: N/A
• 分子式: C₃₂H₅₂Br₂N₄O₄
• 熔点: 164 - 170ºC
• 闪点: N/A

地美溴铵用途

Demecarium Bromide (BC-48) 是一种有效的 cholinesterase 抑制剂,Kiapp 值为 0.15 μM。Demecarium Bromide (BC-48) 用作青光眼治疗剂。

地美溴铵名称

• 中文名: 地美溴铵
• 英文名: demecarium bromide
• 中文别名: 3,3'-(1,10-亚癸基双((甲基亚氨)甲酰氧基))双(N,N,N-三甲基苯铵))二溴化物 | 地美溴胺 | 待买卡农

地美溴铵生物活性

• 描述: Demecarium Bromide (BC-48) 是一种有效的 cholinesterase 抑制剂,Kiapp 值为 0.15 μM。Demecarium Bromide (BC-48) 用作青光眼治疗剂。
• 相关类别:
  研究领域 >> 神经疾病
  信号通路 >> 神经信号通路 >> 疼痛
• 靶点实验:

  Kiapp: 0.15 μM (Cholinesterase)[1]

• 体内研究: 去甲肾上腺素(0.125和0.5％)引起长期瞳孔缩小,降低了正常血压眼和遗传性青光眼的小于眼内压(IOP)[1]。
• 参考文献:

  [1]. Brown JH, et al. Activation and blockade of cardiac muscarinic receptors by endogenous acetylcholine and cholinesterase inhibitors. J Pharmacol Exp Ther. 1982 Oct;223(1):20-4.

  [2]. Gum GG, et al. Effect of topically applied demecarium bromide and echothiophate iodide on intraocular pressure and pupil size in beagles with normotensive eyes and beagles with inherited glaucoma. Am J Vet Res. 1993 Feb;54(2):287-93.

地美溴铵物理化学性质

• 熔点: 164 - 170ºC
• 分子式: C₃₂H₅₂Br₂N₄O₄
• 分子量: 716.588
• 精确质量: 714.235535
• PSA: 59.08000
• LogP: 0.77020
• InChIKey: YHKBUDZECQDYBR-UHFFFAOYSA-L
• SMILES: CN(CCCCCCCCCCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-].[Br-]
• 储存条件: 2-8℃
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:6

  4.可旋转化学键数量:17

  5.互变异构体数量:无

  6.拓扑分子极性表面积59.1

  7.重原子数量:42

  8.表面电荷:0

  9.复杂度:686

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:3

地美溴铵毒性和生态

地美溴铵安全信息

• 安全声明 (欧洲): S22-S26-S36/37-S36/37/39
• 危险品运输编码: 3077
• WGK德国: 3
• 包装等级: III
• 危险类别: 9

地美溴铵靶点实验

查看更多实验

实验名称：AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of... 来源：The Scripps Research Institute Molecular Screening Center 靶标：N/A External Id：ULK1_INH_LUMI_1536_1X%INH PRUN

实验名称：Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School 靶标：HCMV UL50 External Id：HMS1262

实验名称：Dicer-mediated maturation of pre-microRNA 来源：Center for Chemical Genomics, University of Michigan 靶标：N/A External Id：TargetID_659_CEMA

实验名称：Drug Induced Liver Injury Prediction System (DILIps) validation dataset; compound DIL... 来源：ChEMBL 靶标：Hepatotoxicity External Id：CHEMBL1909323

实验名称：Literature-mined public compounds from Greene et al multi-species hepatotoxicity mode... 来源：ChEMBL 靶标：Hepatotoxicity External Id：CHEMBL1697722

实验名称：Cell-based high throughput primary assay to identify activators of GPR151 来源：The Scripps Research Institute Molecular Screening Center 靶标：RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL External Id：GPR151_PHUNTER_AG_LUMI_1536_1X%ACT

实验名称：MELAS cybrid survival enhancement under low glucose conditions 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School 靶标：N/A External Id：HMS1419

实验名称：AlphaScreen-based biochemical high throughput primary assay to identify activators of... 来源：The Scripps Research Institute Molecular Screening Center 靶标：N/A External Id：FBW7_ACT_ALPHA_1536_1X%ACT PRUN

实验名称：AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of... 来源：The Scripps Research Institute Molecular Screening Center External Id：MITF_INH_Alpha_1536_1X%INH PRUN

实验名称：Inhibition of cell viability relative to arbidol control (inhibition index > 1 indica... 来源：ChEMBL 靶标：Severe acute respiratory syndrome coronavirus 2 External Id：CHEMBL4303819

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地美溴铵英文别名

• Tosmilen
• 3,3'-{1,10-Decanediylbis[(methylcarbamoyl)oxy]}bis(N,N,N-trimethylanilinium) dibromide
• Visumiotic
• Demekastigmine bromide
• 3,3'-{Decane-1,10-diylbis[(methylcarbamoyl)oxy]}bis(N,N,N-trimethylanilinium) dibromide
• Tonilen
• trimethyl-[3-[methyl-[10-[methyl-[3-(trimethylazaniumyl)phenoxy]carbonylamino]decyl]carbamoyl]oxyphenyl]azanium,dibromide
• 3,3'-[1,10-Decanediylbis[(methylimino)carbonyloxy]]bis[N,N,N-trimethylbenzenaminium]dibromide
• Benzenaminium, 3,3'-[1,10-decanediylbis[(methylimino)carbonyloxy]]bis[N,N,N-trimethyl-, bromide (1:2)
• Humorsol
• Tosmicil
• decamethylenebis[m-dimethylaminophenyl n-methylcarbamate] dimethobromide
• Decamethylenebis[N-methylcarbamic Acid m-Dimethylaminophenyl Ester] Bromidethylate
• Tosmilene
• EINECS 200-301-9
• Demecarium bromide
• N,N'-Bis[3-trimethylammoniumphenoxycarbonyl]-N,N'-dimethyldecamethylenediamine Dibromide
• Frumtosnil
• Visumatic