Ko143 Hydrate Ko143水合物

CAS 461054-93-3 MFCD11042273

化学结构图

461054-93-3
SMILES: COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@@H]1C3

化学属性

Mol. FormulaC26H35N3O5· xH2O
Mol. Weight469.57 (anhydrous basis)
Density1.422

别名和识别编码

Chemical NameKo143 Hydrate
CAS Number461054-93-3
Synonym (3S,6S,12aS)- (3S,6S,12aS)-1,2,3,4,6,7,12,12a-Octahydro-9-methoxy-6-( 2-methylpropyl)-1,4-dioxopyrazino[1',2':1,6]pyrido[3,4- b]indole-3-propanoic acid 1,1-dimethylethyl ester hydrate Ko-143 hydrate 3-(6-isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2'-1,6)pyrido(3,4-b)indol-3-yl)propionic acid tert-butyl ester Ko 143 Ko-143 Ko143 cpd tert-butyl-3-(6-isobutyl-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino(1',2'-1,6)pyrido(3,4-b)indol-3-yl)propanoate
EC Number250-023-7
Beilstein Registry Number2384789
MDL NumberMFCD19053160
PubChem Substance ID10322450
Chemical Name TranslationKo143水合物
LabNetwork Molecule IDLN00198986
InChIInChI=1S/C26H35N3O5/c1-14(2)11-20-23-17(16-8-7-15(33-6)12-19(16)27-23)13-21-24(31)28-18(25(32)29(20)21)9-10-22(30)34-26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,31)/t18-,20-,21-/m0/s1
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分类

  • Inhibitors
  • Chiral Reagents
  • Heterocycles
  • Pharmaceuticals
  • {SNA} Approved Therapeutics/Drug Candidates, Bioactive Small Molecule Alphabetical Index, Drug Efflux Pumps, Drug Transport Compounds, Drug Transport Proteins & Reagents, GlaxoSmithKline, K, Membrane Protein Biology Tools, Modulators for MRP Transporters, Multi-Drug Resistance, Multi-Drug Resistance and Drug Metabolism, 生化试剂, 生物活性小分子, 细胞信号转导和神经科学, 细胞生物学, 蛋白质及衍生物
  • Intermediates & Fine Chemicals

产品应用

  • A potent BCRP (breast cancer resistance protein) inhibitor

相关文献及参考

  • Allen, J., et al.: Cancer Res., 59, 4237 (1999),

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • 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。
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • 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。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard Codes Xi
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激

系列性分类

  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Enzymes, Inhibitors, and Substrates - Biochemicals and Reagents
  4. Enzyme Inhibitors - Enzymes, Inhibitors, and Substrates

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