4-Chloro-1H-pyrazolo[3,4-d]pyrimidine 4-氯-1H-吡唑并[3,4-d]嘧啶

CAS 5399-92-8 MFCD03030404

化学结构图

5399-92-8
SMILES: Clc1ncnc2[nH]ncc12

化学属性

Mol. FormulaC5H3ClN4
Mol. Weight154.55712
Melting Point>350 °C
Boiling Point348.3°C at 760 mmHg

别名和识别编码

Chemical Name4-Chloro-1H-pyrazolo[3,4-d]pyrimidine
CAS Number5399-92-8
Alfabeta NameCHLOROPYRAZOLOPYRIMIDINE HD4134[]----,
MDL NumberMFCD03030404
Synonym 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine {LY} 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine {} {LY} 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine {} {} {LY} 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine {} {} {} {LY} 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine {} {} {} {} {LY} 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine {} {} {} {} {} {LY} 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine {} {} {} {} {} {} {LY} 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine {} {} {} {} {} {} {} {LY} 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine {} {} {} {} {} {} {} {} {LY} 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation4-氯-1H-吡唑并[3,4-d]嘧啶
LabNetwork Molecule IDLN00160804
PubChem Substance ID221095
InChIInChI=1S/C5H3ClN4/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2H,(H,7,8,9,10)
Canonical SMILESClC1=NC=NC2=C1C=NN2
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分类

  • Heterocycles
  • Inhibitors
  • Nucleotides
  • Bases & Related Reagents
  • {KO} ReacChlorides
  • {KO} AminesSecondaryHeteroNH

产品应用

  • Has a SK channel blocker effect.

相关文献及参考

  • Scenone, S., et al.: Bioorg. Med. Chem. Lett., 14, 2511 (2004),
  • Wunder, F., et al.: Mol. Pharmacol., 68, 1755 (2005),
  • Carraro, F., et al.: J. Med. Chem., 49, 1549 (2006),

安全信息

Warnings IRRITANT
GHS Symbol
Signal word Warning
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；
  • S36/37/39 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。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • 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。
  • P301+P312
  • P301+P317
  • P302+P352
  • P304+P312
  • P304+P340
  • P305+P351+P335
  • 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。
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Storage condition -20°C, stored under nitrogen {LY} -20°C, stored under nitrogen {} {LY} -20°C, stored under nitrogen {} {} {LY} -20°C, stored under nitrogen {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
3
Rotatable Bonds
0
LogP
8.312000000000003e-001

其他信息

  • MOL 文件:5399-92-8.mol
  • Hazard Note:Harmful

系列性分类

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