7-Nitroindazole 7-硝基-1H-吲唑

CAS 2942-42-9 MFCD00022789

化学结构图

2942-42-9
SMILES: O=[N+]([O-])c1cccc2cn[nH]c12

化学属性

Mol. FormulaC7H5N3O2
Mol. Weight163.136
Melting Point185-186°C
TSCANo
SolubilityDissolved in 50 mg/mL of Dimethylformamide
Appearance 黄色固体
Boiling Point383.3°C at 760 mmHg

别名和识别编码

Chemical Name7-Nitroindazole
CAS Number2942-42-9
Alfabeta NameNITROINDAZOLE H71---
MDL NumberMFCD00022789
Synonym 7-Nitroindazole {LY} 7-Nitroindazole 7-nitro-indazole 7-nitroindazole {} {LY} 7-Nitroindazole {} {} {LY} 7-Nitroindazole {} {} {} {LY} 7-Nitroindazole {} {} {} {} {LY} 7-Nitroindazole {} {} {} {} {} {LY} 7-Nitroindazole {} {} {} {} {} {} {LY} 7-Nitroindazole {} {} {} {} {} {} {} {LY} 7-Nitroindazole {} {} {} {} {} {} {} {} {LY} 7-Nitroindazole {} {} {} {} {} {} {} {} {} {LY} 7-Nitroindazole {} {} {} {} {} {} {} {} {} {} {} {LY} 7-Nitroindazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 7-Nitroindazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 7-Nitroindazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 7-Nitroindazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 7-Nitroindazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 7-Nitroindazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 7-Nitroindazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 7-Nitroindazo
EC Number220-934-4
Beilstein Registry Number23(5)6,189
PubChem Substance ID1893
Reaxys-RN6809
Chemical Name Translation7-硝基-1H-吲唑
Wiswesser Line NotationT56 BMNJ INW
LabNetwork Molecule IDLN00147946
InChIInChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
Canonical SMILESO=[N+](C1=CC=CC2=C1NN=C2)[O-]
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分类

  • {SNA} Application Index, Bioactive Small Molecules, Biochemicals and Reagents, Cell Biology, Cell Signaling Enzymes, Cell Signaling and Neuroscience, Enzyme Inhibitors, Enzyme Inhibitors by Enzyme, Enzymes, Inhibitors, and Substrates, L to O, N, NOS Inhibitors, Nitric Oxide Metabolism, Nitric Oxide Synthase, Nitric Oxide Synthase Regulators, Nitric Oxide and Cell Stress
  • {SNA} Application Index, Bioactive Small Molecule Alphabetical Index, Cell Signaling Enzymes, Enzyme Inhibitors, Enzyme Inhibitors by Enzyme, L to O, N, NOS - Nitric Oxide Inhibitors,
  • {SNA} Application Index,

产品应用

  • A potent, selective brain inhibitor of mouse cerebellar Nitric Oxide Synthase.

相关文献及参考

  • Garthwaite, J., et al.: Trends Neurosci., 14, 60 (1991),

安全信息

Warnings IRRITANT
RTECSNK7962200
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • 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；
  • S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
  • 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）；
Risk Statements
  • R60 May impair fertility 可能降低生殖能力
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
WGK Germany3
GHS Symbol
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
  • P203
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P301+P310
  • P301+P316
  • P302+P352
  • P302+P352+P312+P362+P364
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+
  • P308+P313
  • 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。
  • P318
  • 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
  • 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
  • H302+H312+H332
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H341 Suspected of causing genetic defects 怀疑导致遗传性缺陷
  • H351 Suspected of causing cancer 怀疑致癌
  • H360 May damage fertility or the unborn child 可能对生育能力或未出生婴儿造成伤害
Signal word
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Hazard Codes T
UN Number UN 2811 6.1/PG 3
Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°
Packing GroupIII 
TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 nmol/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 173,169,1986

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
1

其他信息

  • MSDS 信息:7-Nitro-1H-indazole(2942-42-9).msds
  • Sigma Aldrich:2942-42-9(sigmaaldrich)
  • Acros Organics:7-硝基吲唑 7-Nitroindazole, 97%(2942-42-9)
  • 7-硝基吲唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 N0827 7-硝基吲唑 7-Nitroindazole 5G 1470元 2014/06/02 N0827 7-硝基吲唑 7-Nitroindazole 1G 480元 2010/06/21 AC32877CB 7-硝基吲唑 7-nitro-1H-indazole 250 MG 4140元
  • TCI Shanghai:7-硝基吲唑 7-Nitroindazole,>;97.0%(GC)(2942-42-9)
  • 图谱信息:7-硝基吲唑(2942-42-9)质谱(MS) 7-硝基吲唑(2942-42-9)红外图谱(IR1) 7-硝基吲唑(2942-42-9)红外图谱(IR2)
  • 上游原料:乙酸 --> 亚硝酸钠 --> 2-甲基-6-硝基苯胺
  • MOL 文件:2942-42-9.mol
  • Alfa Aesar:7-硝基吲唑,98% 7-Nitro-1H-indazole, 98%(2942-42-9)

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. N - 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. Indazoles 吲唑
  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
  5. Enzyme Inhibitors by Enzyme - Enzyme Inhibitors
  6. L to O - Enzyme Inhibitors by Enzyme
  7. Nitric Oxide Synthase - L to O
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Cell Signaling and Neuroscience
  4. Nitric Oxide and Cell Stress
  5. Nitric Oxide Metabolism
  6. Nitric Oxide Scavengers
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Cell Signaling Enzymes
  5. Nitric Oxide Metabolism
  6. NO Donors
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Enzyme Inhibitors
  5. Enzyme Inhibitors by Enzyme
  6. NADH peroxidase

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