马来酸美西麦角

• 常用名: 马来酸美西麦角
• 英文名: Methysergide
• CAS号: 129-49-7
• 分子量: 469.53000
• 密度: 1.28g/cm3
• 沸点: 634.4ºC at 760 mmHg
• 分子式: C₂₅H₃₁N₃O₆
• 熔点: N/A
• 闪点: 337.5ºC
• 符号: GHS06
• 信号词: Danger

马来酸美西麦角用途

Methysergide is a prescription drug formerly used for prophylaxis of cluster headaches/migraine headaches, but is no longer recommended due to retroperitoneal/retropulmonary fibrosis. It is also used in carcinoid syndrome to treat severe diarrhea. It may also be used in the treatment of serotonin syndrome.

马来酸美西麦角名称

• 中文名: 马来酸美西麦角
• 英文名: Methysergide maleate salt

马来酸美西麦角物理化学性质

• 密度: 1.28g/cm3
• 沸点: 634.4ºC at 760 mmHg
• 分子式: C₂₅H₃₁N₃O₆
• 分子量: 469.53000
• 闪点: 337.5ºC
• 精确质量: 469.22100
• PSA: 132.10000
• LogP: 1.97570
• InChIKey: LWYXFDXUMVEZKS-ZVFOLQIPSA-N
• SMILES: CCC(CO)NC(=O)C1C=C2c3cccc4c3c(cn4C)CC2N(C)C1.O=C(O)C=CC(=O)O
• 外观性状: 白色至灰白色
• 蒸汽压: 5.74E-17mmHg at 25°C
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:4

  3.氢键受体数量:7

  4.可旋转化学键数量:6

  5.互变异构体数量:2

  6.拓扑分子极性表面积132

  7.重原子数量:34

  8.表面电荷:0

  9.复杂度:697

  10.同位素原子数量:0

  11.确定原子立构中心数量:3

  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:1

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:2

马来酸美西麦角毒性和生态

马来酸美西麦角毒理学数据:

1、急性毒性： 大鼠经口LD5O：200mg/kg

大鼠经静脉LD5O：125mg/kg

小鼠经口LD5O：581mg/kg

小鼠经静脉LD5O：185mg/kg

兔子经静脉LD5O：28mg/kg

2、致生殖毒性：小鼠（雌，受精前）腹腔TDLO：400ug/kg/1D

3、致突变：人体淋巴细胞遗传学分析测试系统：100ug/kg/24H

小鼠腹腔细胞遗传学分析测试系统：200mg/kg

小鼠腹腔显性致死实验：100mg/kg

马来酸美西麦角安全信息

• 符号: GHS06
• 信号词: Danger
• 危害声明: H301
• 警示性声明: Missing Phrase - N15.00950417
• 个人防护装备: Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
• 危害码 (欧洲): T: Toxic;
• 风险声明 (欧洲): R25
• 安全声明 (欧洲): S45
• 危险品运输编码: UN 2811 6
• WGK德国: 3
• RTECS号: KE5410000
• 包装等级: III
• 危险类别: 6.1(b)

马来酸美西麦角靶点实验

查看更多实验

实验名称：Primary cell-based high-throughput screening assay for identification of compounds th... 来源：Johns Hopkins Ion Channel Center 靶标：regulator of G-protein signaling 4 isoform 2 [Homo sapiens] External Id：JHICC_RGS_Act_HTS

实验名称：Luminescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：mu-type opioid receptor isoform MOR-1 [Homo sapiens] External Id：OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN

实验名称：QFRET-based biochemical primary high throughput screening assay to identify exosite i... 来源：The Scripps Research Institute Molecular Screening Center 靶标：disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens] External Id：ADAM17_INH_QFRET_1536_1X%INH PRUN

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_AG_FLUO8_1536_1X%ACT PRUN

实验名称：uHTS identification of small molecule activators of the adaptive arm of the Unfolded ... 来源：Burnham Center for Chemical Genomics 靶标：N/A External Id：BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay

实验名称：Rescue cell viability in cybrid cells with a genetic mutation in complex 1 of the mit... 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School 靶标：N/A External Id：HMS1315

实验名称：A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School External Id：HMS979

实验名称：High throughput fluorescence intensity-based biochemical assay to screen for small mo... 来源：University of Pittsburgh Molecular Library Screening Center 靶标：furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens] External Id：MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.

实验名称：Fluorescence polarization to screen for inhibitor that competite the binding of FadD2... 来源：Broad Institute 靶标：FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE) External Id：2147-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：Tocris HTS for Inhibitors of Aerobactin Synthetase lucA 来源：23265 External Id：IucA Pilot Assay Tocris Library

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马来酸美西麦角英文别名

• Methysergide maleate
• Methysergide maleate,[8β(S)]-9,10-Didehydro-N-[1-(hydroxymethyl)propyl]-1,6-dimethylergoline-8-carboxamidemaleate
• MFCD00083185
• EINECS 204-950-9