1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine 1-甲基-1H-吡唑并[3,4-d]嘧啶-4-胺

CAS 5334-99-6 MFCD00128302

化学结构图

5334-99-6
SMILES: Cn1ncc2c(N)ncnc21

化学属性

Mol. FormulaC6H7N5
Mol. Weight149.15
Melting Point268-270 °C
Boiling Point354.4±22.0 °C at 760 mmHg

别名和识别编码

Chemical Name1-Methyl-1H-Pyrazolo[3,4-D]Pyrimidin-4-Amine
CAS Number5334-99-6
Alfabeta NameMETHYLPYRAZOLOPYRIMIDINYLAMINE HD11344[]------,
MDL NumberMFCD00128302
Chemical Name Translation1-甲基-1H-吡唑并[3,4-d]嘧啶-4-胺
InChIKeyJBMTUXVKTGBMLE-UHFFFAOYSA-N
Wiswesser Line NotationT56 BNN GN INJ B1 FZ
Synonym 1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine {LY} 1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine {} {LY} 1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine {} {} {LY} 1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine {} {} {} {LY} 1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine {} {} {} {} {LY} 1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine {} {} {} {} {} {LY} 1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine {} {} {} {} {} {} {LY} 1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine {} {} {} {} {} {} {} {LY} 1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine {} {} {} {} {} {} {} {} {LY} 1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Meth
Beilstein Registry Number0149930
LabNetwork Molecule IDLN00150195
PubChem Substance ID94753
InChIInChI=1S/C6H7N5/c1-11-6-4(2-10-11)5(7)8-3-9-6/h2-3H,1H3,(H2,7,8,9)
Canonical SMILESNC1=NC=NC2=C1C=NN2C
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分类

  • {KO} AminesPrimary

安全信息

Warnings IRRITANT
RTECSUR0718000 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 45 mg/kg
SEX/DURATION            : female 7-9 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
   COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences.
   (Paris, France)  V.1-261, 1835-1965.  For publisher information, see CRASEV.
    Volume(issue)/page/year: 247,152,1958

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 45 mg/kg
SEX/DURATION            : female 7-9 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - eye/ear
   Reproductive - Specific Developmental Abnormalities - body wall
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences.
   (Paris, France)  V.1-261, 1835-1965.  For publisher information, see CRASEV.
    Volume(issue)/page/year: 247,152,1958

Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • 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
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+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.....

药物吸收、分布、代谢与排泄(ADME)

H-bond Acceptors
3
Rotatable Bonds
0
H-bond Donors
1
LogP
1.044000000000000e-001

系列性分类

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