4-Aminopyrazolo[3,4-d]Pyrimidine 4-氨基吡唑并[3,4-d]嘧啶

CAS 2380-63-4 MFCD00005688

化学结构图

2380-63-4
SMILES: Nc1ncnc2[nH]ncc12

化学属性

Mol. FormulaC5H5N5
Mol. Weight135.13
Melting Point144-148°C
TSCAYes
Boiling Point308.3°C at 760 mmHg

别名和识别编码

Chemical Name4-Aminopyrazolo[3,4-d]Pyrimidine
CAS Number2380-63-4
Alfabeta NameAMINOPYRAZOLOPYRIMIDINE D434[]--,
MDL NumberMFCD00005688
Synonym Pyrazoloadenine {LY} Pyrazoloadenine {} {LY} Pyrazoloadenine {} {} {LY} Pyrazoloadenine {} {} {} {LY} Pyrazoloadenine {} {} {} {} {LY} Pyrazoloadenine {} {} {} {} {} {LY} Pyrazoloadenine {} {} {} {} {} {} {LY} Pyrazoloadenine {} {} {} {} {} {} {} {LY} Pyrazoloadenine {} {} {} {} {} {} {} {} {LY} Pyrazoloadenine {} {} {} {} {} {} {} {} {} {LY} Pyrazoloadenine {} {} {} {} {} {} {} {} {} {} {LY} Pyrazoloadenine {} {} {} {} {} {} {} {} {} {} {} {LY} Pyrazoloadenine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pyrazoloadenine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pyrazoloadenine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pyrazoloadenine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pyrazoloadenine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pyrazoloadenine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pyrazoloadenine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID75420
EC Number219-174-6
Beilstein Registry Number5824
Chemical Name Translation4-氨基吡唑并[3,4-d]嘧啶
Reaxys-RN5824
Wiswesser Line NotationT56 BMN GN INJ FZ
LabNetwork Molecule IDLN00002245
InChIInChI=1S/C5H5N5/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2H,(H3,6,7,8,9,10)
Canonical SMILESNC1=C2C(NN=C2)=NC=N1
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分类

  • {SNA} Building Blocks, C4 to C5, Chemical Synthesis, Heterocyclic Building Blocks, Pyrimidines

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
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+P310
  • P301+P310+P330
  • P301+P316
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • 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。
  • P316
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P322 Specific measures (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
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
  • P361+P364
  • 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
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H331 Toxic if inhaled 吸入中毒
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Signal word Danger
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
RTECSUR0717000
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • 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);
Packing GroupIII
UN Number 2811 UN 2811 6.1/PG 3
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
  • R25 Toxic if swallowed 吞咽有毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Hazard Codes 6.1 T
Hazard Class6.1
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - ciliary spasm
   Sense Organs and Special Senses (Eye) - ptosis
   Behavioral - excitement
REFERENCE :
   PSEBAA Proceedings of the Society for Experimental Biology and Medicine.
   (Academic Press, Inc., 1 E. First St., Duluth, MN 55802)  V.1-    1903/04-
   Volume(issue)/page/year: 93,398,1956

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 141 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - ciliary spasm
   Sense Organs and Special Senses (Eye) - ptosis
   Behavioral - excitement
REFERENCE :
   PSEBAA Proceedings of the Society for Experimental Biology and Medicine.
   (Academic Press, Inc., 1 E. First St., Duluth, MN 55802)  V.1-    1903/04-
   Volume(issue)/page/year: 93,398,1956

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 228 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - ciliary spasm
   Sense Organs and Special Senses (Eye) - ptosis
   Behavioral - excitement
REFERENCE :
   PSEBAA Proceedings of the Society for Experimental Biology and Medic

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 181 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCISP* National Cancer Institute Screening Program Data Summary,
   Developmental Therapeutics Program. (Bethesda, MD 20205)
   Volume(issue)/page/year: JAN1986

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Rodent - mouse Ascites tumor
DOSE/DURATION           : 5 umol/L
REFERENCE :
   ECREAL Experimental Cell Research.  (Academic Press, Inc., 1 E. First St.,
   Duluth, MN 55802) V.10-    1950-  Volume(issue)/page/year: 48,319,1967

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 图谱信息:4-氨基吡唑嘧啶(20289-44-5)红外图谱(IR2) 4-氨基吡唑嘧啶(20289-44-5)红外图谱(IR1) 4-氨基吡唑嘧啶(20289-44-5)核磁图( 1 HNMR) 4-氨基吡唑嘧啶(20289-44-5)核磁图( 13 CNMR) 4-氨基吡唑嘧啶(20289-44-5)质谱(MS)
  • MOL 文件:20289-44-5.mol
  • Sigma Aldrich:20289-44-5(sigmaaldrich)
  • TCI Shanghai:4-胺基吡唑[3,4-d]嘧啶 4-Aminopyrazolo[3,4-d]pyrimidine,>;97.0%(LC)(T)(20289-44-5)

系列性分类


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