5-Aminoimidazole-4-carboxamide 5-氨基-1H-咪唑-4-酰胺

CAS 360-97-4 MFCD02181040

化学结构图

360-97-4
SMILES: NC(=O)c1nc[nH]c1N

化学属性

Mol. FormulaC4H6N4O
Mol. Weight126.12
Density1.422
Melting Point164-170°C
Boiling Point522.1°C at 760 mmHg

别名和识别编码

Chemical Name5-Aminoimidazole-4-carboxamide
CAS Number360-97-4
Alfabeta NameAMINOIMIDAZOLECARBOXAMIDE H415-----
MDL NumberMFCD02181040
Synonym 5-Amino-3H-imidazole-4-Carboxamide {LY} 5-Amino-3H-imidazole-4-Carboxamide {} {LY} 5-Amino-3H-imidazole-4-Carboxamide {} {} {LY} 5-Amino-3H-imidazole-4-Carboxamide {} {} {} {LY} 5-Amino-3H-imidazole-4-Carboxamide {} {} {} {} {LY} 5-Amino-3H-imidazole-4-Carboxamide {} {} {} {} {} {LY} 5-Amino-3H-imidazole-4-Carboxamide {} {} {} {} {} {} {LY} 5-Amino-3H-imidazole-4-Carboxamide {} {} {} {} {} {} {} {LY} 5-Amino-3H-imidazole-4-Carboxamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Amino-3H-imidazole-4-Carboxamide {} {} {} {} {} {} {} {} {} {LY} 5-Amino-3H-imidazole-4-Carboxamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Amino-3H-imidazole-4-Carboxamide {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Amino-3H-imidazole-4-Carboxamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Amino-3H-imidazole-4-Carboxamide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Amino-3H-imidazole-4-Carboxamide {} {} {} {} {} {}
EC Number206-641-4
Beilstein Registry Number2384789
PubChem Substance ID9679
Chemical Name Translation5-氨基-1H-咪唑-4-酰胺
Wiswesser Line NotationT5M CNJ DVZ EZ
InChIInChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)
Canonical SMILESO=C(C1=C(N)NC=N1)N
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分类

  • {SNA} Building Blocks, C3 to C8, Chemical Synthesis, Heterocyclic Building Blocks, Imidazoles
  • {SNA} Analytical Standards, Chromatography, EP Standards, EP Standards C - D, Pharmaceutical Standards, Pharmacopeia Standards, 分析/色谱
  • Nucleotides
  • {SNA} Analytical Standards, EP Standards, EP Standards C - D, Pharmacopeia & Metrological Institutes Standards, 分析/色谱
  • {SNA} Analytical Standards, EP Standards, EP Standards C - D,
  • Amines
  • Bases & Related Reagents,
  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography, EP Standards, EP Standards C - D, Pharmaceutical Standards, Pharmacopeia Standards

产品应用

  • A metabolite of Temozolomide.

相关文献及参考

  • Jaeken, J., et al.: Lancet, 2, 1058 (1984),
  • [1]. YANG LIU. VARIABLE-TEMPERATURE 1 H-NMR AND AB INITIO STUDY OF 5-AMINO-IMIDAZOLE-4-CARBOXAMIDE (AICA): COMPETING PATHS FOR AMIDE-H SCRAMBLING. DECEMBER 2008.

安全信息

Warnings IRRITANT
Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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
  • 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
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P317
  • P337+P317
  • 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
  • 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
RTECSNI3910000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 6390 mg/kg/21W-C
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Kidney, Ureter, Bladder - Kidney tumors
   Skin and Appendages - tumors
REFERENCE :
   JNCIAM Journal of the National Cancer Institute.  (Washington, DC)  V.1-60,
   1940-78.  For publisher information, see JJIND8.  Volume(issue)/page/year:
   54,951,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Tumorigenic - active as anti-cancer agent
REFERENCE :
   GANNA2 Gann.  Japanese Journal of Cancer Research.  (Tokyo, Japan)  V.1-75,
   1907-84.  For publisher information, see JJCREP.  Volume(issue)/page/year:
   59,207,1968

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Rodent - rat Cells - not otherwise specified
DOSE/DURATION           : 3 mmol/L
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   36,2827,1976

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 400 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 190,89,1987

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Rodent - rat Cells - not otherwise specified
DOSE/DURATION           : 3 mmol/L
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   36,2827,1976

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 10 ug/plate
REFERENCE :
   JTEHD6 Journal of Toxicology and Environmental Health.  (Hemisphere Pub.,
   1025 Vermont Ave., NW, Washington, DC 20005)  V.1-    1975/76-
   Volume(issue)/page/year: 2,1095,1977

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

  • Acros Organics:5-Aminoimidazole-4-carboxamide, 95%(360-97-4)
  • 储运特性:库房通风低温干燥
  • 用途一:医药中间体
  • 用途三:阿卡明、氮烯咪胺的中间体。
  • 4-氨基-5-咪唑甲酰胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 397550250 4-氨基-5-咪唑甲酰胺 5-Aminoimidazole-4-carboxamide 95% 25 GR 2621元 2010/06/21 397550050 4-氨基-5-咪唑甲酰胺 5-Aminoimidazole-4-carboxamide 95% 5 GR 925元
  • 下游产品:替莫唑胺
  • Sigma Aldrich:360-97-4(sigmaaldrich)
  • 毒性分级:中毒
  • 用途二:用作药物替莫唑胺中间体
  • 方法一:用α-脒基-α-甲酰氨基乙酰胺盐酸盐在溶剂如二甲苯中环合制得。
  • MOL 文件:360-97-4.mol
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • 上游原料:甘氨酰胺
  • 急性毒性:腹腔-小鼠LD50: 2000 毫克/公斤
  • 可燃性危险特性:可燃;燃烧产生有毒氮氧化物烟雾
  • 类别:有毒物品

系列性分类

  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. Imidazoles 咪唑
  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. Imidazoles 咪唑
  5. C3 to C8 - Imidazoles
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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