D-Bicuculline 右旋比扣扣灵碱

CAS 485-49-4 MFCD00005006

化学结构图

485-49-4
SMILES: CN1CCc2cc3c(cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3

化学属性

Mol. FormulaC20H17NO6
Mol. Weight367
Melting Point193-197
Density1.473

别名和识别编码

Chemical NameD-Bicuculline
CAS Number485-49-4
Synonym (+)-BICUCULINE (+)-BICUCULLINE (+)-BICUCULLINE 1(S),9(R) (+)-Bicuculline (+)-荷包牡丹碱 (6R)-6-[(5S)-5,6,7,8-Tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]furo[3,4- (6R)-6-[(5S)-5,6,7,8-Tetrahydro-6-methyl-1,3-dioxolo[4,5-g]lisoquinolin-5-yl]furo[3,4-e]-1,3-benzodioxol-8(6H (6R)-6-[(5S)-6-Methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one (R-(R*,S*))-6-(5,6,7,8-Tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-furo(3,4-e)-1,3-benzodioxol-8(6H)-one (r-(r*,s*))-6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-furo(3,4-e)-1,3-benzodioxol-8(6h)-one 1,3-Dioxolo[4,5-g]isoquinoline, furo[3,4-e]-1,3-benzodioxol-8(6H)-one deriv. 5-g)isoquinolin-5-yl)-,( 6-(5,6,7,8-Tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)furo(3,4-e)1,3-benzodioxol-
MDL NumberMFCD00005006
Beilstein Registry Number98786
EC Number207-619-7
PubChem Substance ID10237
Chemical Name Translation右旋比扣扣灵碱
Merck Number1203
Reaxys-RN98786
Wiswesser Line NotationT C566 DO FO KN EH&&TJ K1 J- ET B565 CVO JO LO EH KHJ
InChIInChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
LabNetwork Molecule IDLN01272117
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分类

  • {SNA} B, Bioactive Small Molecules, Cell Biology
  • Pharmaceuticals
  • {SNA} B, Bioactive Small Molecules, 细胞生物学
  • {SNA} B, Bioactive Small Molecule Alphabetical Index, 生物活性小分子, 细胞生物学
  • Intermediates & Fine Chemicals,
  • {uni_hamburg} no charge; oxygen heterocycle; nitrogen heterocycle; carbocycle; aromatic; alicycle; large ring; fused rings; 5ring; 6ring; 9ring; 10ring; 12ring; 13ring; ester; lactone; chiral; 1fragment

产品应用

  • GABAA受体竞争性拮抗剂，是研究GABA能突触传递的重要工具。

相关文献及参考

  • Chebib, M., et al.: Clin. Exp. Pharmacol. Physiol., 26, 927 (1999),
  • Short: III/10b
  • Short: EINECS
  • Curtis, et al.: Nature, 226, 1222 (1970),
  • Avoli, M., et al.: J. Physiol. Pharmacol., 75, 526 (1997),
  • Merck: 14,1203 Beilstein: 27,IV,6900
  • Merck: 14,1203

安全信息

RTECSLV0909840
WGK Germany3
GHS Symbol
Safety Statements
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Hazard Codes T,N
Risk Statements
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有毒
  • R50 Very toxic to aquatic organisms 对水生生物极毒
Hazard statements
  • H301+H311+H331
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
  • H311+H331
  • H300 Fatal if swallowed 吞食致命
  • H331 Toxic if inhaled 吸入中毒
  • H311 Toxic in contact with skin 皮肤接触中毒
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Precautionary statements
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P310+P330
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P405 Store locked up. 上锁保管。
  • P304+P340+P311
  • P302+P352+
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P302+P350
  • P403+P233
Signal word
Packing GroupII
Hazard Class6.1
Storage condition 0-6°C 储存温度2-8°C
UN Number UN 1544 6.1/PG 2 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 8480 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CUTOEX Current Toxicology.  (Nova Science Publishers, Inc., 6080 Jericho
   Turnpike, Suite 207, Commack, NY  11725)  V.1    1993-
   Volume(issue)/page/year: 1,199,1993

其他信息

  • 储运特性:通风低温干燥; 与库房食品原料分开存放
  • 毒性分级:剧毒
  • 可燃性危险特性:可燃; 燃烧产生有毒氮氧化物烟舞
  • 类别:农药
  • MOL 文件:485-49-4.mol
  • 溶于苯、氯仿、乙酸乙酯。微溶于乙醇和乙醚。
  • 存储注意事项:空气敏感;光敏感
  • F:10-23
  • MSDS 信息:(R-(R*,S*))-6-(5,6,7,8-Tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-furo(3,4-e)-1,3-benzodioxol-8(6H)-one(485-49-4).msds
  • Sigma Aldrich:485-49-4(sigmaaldrich)
  • 急性毒性:腹腔-小鼠 LD50: 8.48 毫克/公斤
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 图谱信息:(+)-荷包牡丹碱(485-49-4)核磁图( 1 HNMR) (+)-荷包牡丹碱(485-49-4)红外图谱(IR1) (+)-荷包牡丹碱(485-49-4)核磁图( 13 CNMR) (+)-荷包牡丹碱(485-49-4)红外图谱(IR2) (+)-荷包牡丹碱(485-49-4)质谱(MS)

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. B - Bioactive Small Molecules
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环

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