Gramine 芦竹碱

CAS 87-52-5 MFCD00005629

化学结构图

87-52-5
SMILES: CN(C)Cc1c[nH]c2ccccc12

化学属性

Mol. FormulaC11H14N2
Mol. Weight174.24
Melting Point131-134°C
Flash Point167°C
Solubility难溶
Density0.7692
Appearance 叶片状或针状结晶。熔点138-139℃，溶于醇、醚、氯仿，微溶于冷丙酮，几乎不溶于水和石油醚。
Boiling Point293.9°C at 760 mmHg

别名和识别编码

Chemical NameGramine
MDL NumberMFCD00005629
CAS Number87-52-5
Synonym Gramine {LY} Gramine {} {LY} Gramine {} {} {LY} Gramine {} {} {} {LY} Gramine {} {} {} {} {LY} Gramine {} {} {} {} {} {LY} Gramine {} {} {} {} {} {} {LY} Gramine {} {} {} {} {} {} {} {LY} Gramine {} {} {} {} {} {} {} {} {LY} Gramine {} {} {} {} {} {} {} {} {} {LY} Gramine {} {} {} {} {} {} {} {} {} {} {LY} Gramine {} {} {} {} {} {} {} {} {} {} {} {LY} Gramine {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gramine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gramine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gramine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gramine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gramine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gramine {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID6890
Beilstein Registry Number140521
EC Number201-749-8
Reaxys-RN140521
Merck Number4533
Chemical Name Translation芦竹碱
Wiswesser Line NotationT56 BMJ D1N1&1
LabNetwork Molecule IDLN00197314
InChIInChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3
Canonical SMILESCN(C)CC1=CNC2=C1C=CC=C2
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分类

  • {SNA} Building Blocks, C11, Chemical Synthesis, Heterocyclic Building Blocks, Hordeum vulgare (Barley), Indoles, Nutrition Research, Phytochemicals by Plant (Food/Spice/Herb), 细胞生物学
  • {SNA} Building Blocks, C11, Cell Biology, Chemical Synthesis, Heterocyclic Building Blocks, Hordeum vulgare (Barley), Indoles, Nutrition Research, Phytochemicals by Plant (Food/Spice/Herb)
  • {SNA} Building Blocks, C11, Chemical Synthesis, Heterocyclic Building Blocks, Hordeum vulgare (Barley), Indoles, Phytochemicals by Plant (Food/Spice/Herb),

产品应用

  • 该品是合成色氨酸的中间体。

相关文献及参考

  • [2]. Chikazawa M, et al. Identification of Functional Food Factors as β2-Adrenergic Receptor Agonists and Their Potential Roles in Skeletal Muscle. J Nutr Sci Vitaminol (Tokyo). 2018;64(1):68-74.
  • Merck: 14,4533
  • Merck: 14,4533 Beilstein:22(3/4)4302
  • [1]. Sun Y, et al. Identification of adiponectin receptor agonist utilizing a fluorescence polarization based high throughput assay. PLoS One. 2013 May 14;8(5):e63354.
  • [1]. Sun Y, et al. Identification of adiponectin receptor agonist utilizing a fluorescence polarization based high throughput assay. PLoS One. 2013 May 14;8(5):e63354.
  • [2]. Chikazawa M, et al. Identification of Functional Food Factors as β2-Adrenergic Receptor Agonists and Their Potential Roles in Skeletal Muscle. J Nutr Sci Vitaminol (Tokyo). 2018;64(1):68-74.

安全信息

WGK Germany3
RTECSNL7525000
Signal word
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
Precautionary statements
  • 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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P332+P313
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P301+P330+P331
  • P305+P351+P338+P337+P313
GHS Symbol
Safety Statements
Risk Statements
Hazard Codes C
Storage condition 2-8°C {LY} 2-8°C Refrigerator (+4°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°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCNSA6 National Academy of Sciences, National Research Council,
   Chemical-Biological Coordination Center, Review.  (Washington, DC)
   Volume(issue)/page/year: 5,11,1953

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 122 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PSYPAG Psychopharmacologia (Berlin).  (Berlin, Ger.)  V.1-46, 1959-76.  For
   publisher information, see PSCHDL.  Volume(issue)/page/year: 16,385,1970

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 46 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - excitement
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 105,130,1952

其他信息

  • 溶于醇、醚、氯仿，微溶于冷丙酮，几乎不溶于水和石油醚。
  • 用途一:该品是合成色氨酸的中间体。
  • Acros Organics:芦竹碱 Gramine, 99%(87-52-5)
  • MOL 文件:87-52-5.mol
  • 上游原料:二甲胺 --> 吲哚
  • Sigma Aldrich:87-52-5(sigmaaldrich)
  • 方法一:由吲哚与甲醛、二甲胺缩合而得。将二甲胺冷至-5℃，加至冰醋酸中。在温度不超过5℃的条件下，加入甲醛、吲哚，在30-40℃反应8h，冷至5℃，用40%氢氧化钠调节pH等于1，冷却出芦竹碱结晶。过滤，水洗，抽干后将此粗品用丙酮加热溶解，冷却、析出结晶、过滤、干燥，得成品。
  • 图谱信息:芦竹碱(87-52-5)核磁图( 13 CNMR) 芦竹碱(87-52-5)红外图谱(IR2) 芦竹碱(87-52-5)质谱(MS) 芦竹碱(87-52-5)红外图谱(IR1)
  • TCI Shanghai:芦竹碱 Gramine,>;98.0%(T)(87-52-5)
  • 芦竹碱价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D0653 芦竹碱 Gramine 25G 297元 2010/06/21 120185000 芦竹碱 Gramine 99% 500 GR 3184元 2010/06/21 120180100 芦竹碱 Gramine 99% 10 GR 163元
  • 下游产品:DL-色氨酸
  • MSDS 信息:3-(Dimethylaminomethyl)indole(87-52-5).msds

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. Indazoles 吲唑
  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. Indoles 吲哚
  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. Indolines 吲哚啉
  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. Indoles 吲哚
  5. C11 - Indoles
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Indoles
  1. Life Science 生命科学
  2. Biochemistry / Glyco-Chemistry
  3. Alkaloids
  1. Medical Research Areas
  2. GPCR & G Protein
  3. Adiponectin Receptor  (脂联素受体)
  1. Medical Research Areas
  2. GPCR & G Protein
  3. Adrenergic Receptor  (肾上腺素能受体)

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