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834-28-6 分子结构
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1-carbamimidamido-N-(2-phenylethyl)methanimidamide hydrochloride

ChemBase编号:73095
分子式:C10H16ClN5
平均质量:241.72054
单一同位素质量:241.10942322
SMILES和InChIs

SMILES:
c1ccc(cc1)CCNC(=N)NC(=N)N.Cl
Canonical SMILES:
N=C(NC(=N)N)NCCc1ccccc1.Cl
InChI:
InChI=1S/C10H15N5.ClH/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H6,11,12,13,14,15);1H
InChIKey:
YSUCWSWKRIOILX-UHFFFAOYSA-N

引用这个纪录

CBID:73095 http://www.chembase.cn/molecule-73095.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
1-carbamimidamido-N-(2-phenylethyl)methanimidamide hydrochloride
IUPAC传统名
phenethylbiguanide hydrochloride
1-carbamimidamido-N-(2-phenylethyl)methanimidamide hydrochloride
别名
苯乙双胍
降糖灵 盐酸盐
Phenethylbiguanide
Phenformin hydrochloride
Phenformin hydrochloride
N-(2-Phenylethyl)imidodicarbonimidic Diamide Hydrochloride
1-Phenethylbiguanide Hydrochloride
Insoral
Dibotin
Meltrol
1-carbamimidamido-N-(2-phenylethyl)methanimidamide hydrochloride
CAS号
834-28-6
EC号
212-637-3
MDL号
MFCD00035039
PubChem SID
162038015
24898814
PubChem CID
13266

理论计算性质

理论计算性质

JChem
质子受体 质子供体
LogD (pH = 5.5) -3.9934607  LogD (pH = 7.4) -3.7257519 
Log P 0.832729  摩尔折射率 80.7156 cm3
极化性 22.477764 Å3 极化表面积 97.78 Å2
可自由旋转的化学键 里宾斯基五规则 true 

分子性质

分子性质

理化性质 安全信息 药理学性质 产品相关信息 生物活性(PubChem)
溶解度
Methanol expand 查看数据来源
Water expand 查看数据来源
外观
White Solid expand 查看数据来源
熔点
166-168°C expand 查看数据来源
保存条件
-20°C expand 查看数据来源
-20°C Freezer expand 查看数据来源
RTECS编号
DU2200000 expand 查看数据来源
欧盟危险性物质标志
有害性(Harmful) 有害性(Harmful) (Xn) expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
德国WGK号
3 expand 查看数据来源
危险公开号
22 expand 查看数据来源
安全公开号
36 expand 查看数据来源
GHS危险品标识
GHS07 expand 查看数据来源
GHS警示词
Warning expand 查看数据来源
GHS危险声明
H302 expand 查看数据来源
个人保护装置
dust mask type N95 (US), Eyeshields, Gloves expand 查看数据来源
生物活性机理
Reducing hepatic gluconeogenesis expand 查看数据来源
成盐信息
HCl expand 查看数据来源
hydrochloride expand 查看数据来源
质检报告
下载链接 expand 查看数据来源
应用领域
Antidiabetic agent expand 查看数据来源
Empirical Formula (Hill Notation)
C10H15N5 · HCl expand 查看数据来源

详细说明

详细说明

Selleck Chemicals Selleck Chemicals TRC TRC
Selleck Chemicals -  S2542 external link
Research Area: Immunology
Biological Activity:
Phenformin hydrochloride is a hydrochloride salt of phenformin that is an anti-diabetic drug from the biguanide class. Phenformin is a biguanide. Phenformin can increase AMPK activity without increasing AMP/ATP. In a study, in hearts treated with phenformin for 18 min and then perfused for 20 min with Krebs-Henseleit buffer, [AMP] began to increase at 26 min and AMPK activity was elevated at 36 min. In hearts treated with metformin, [AMP] was increased at 50 min and AMPK activity, phosphorylated AMPK, and phosphorylated acetyl-CoA carboxylase were elevated at 61 min. Phenformin increase AMPK activity and phosphorylation in the isolated heart. The increase in AMPK activity was always preceded by and correlated with increased cytosolic [AMP]. [1][2]References on Phenformin HCl[1] Can Fam Physician., 1968 Feb., 14(2):45-7.[2] http://en.wikipedia.org/wiki/Phenformin, ,
Toronto Research Chemicals -  P296900 external link
It is an anti-diabetic drug from the biguanide class.

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • http://en.wikipedia.org/wiki/Phenformin
  • Moody, J.E., Anal. Profiles Drug Subs., 4, 319 (1975)
  • Shapiro, S.L. et al., J.A.C.S., 1959, 81, 2220, (synth)
  • Matin, S.B. et al., Biomed. Mass Spectrom., 1974, 1, 320, (ms)
  • Moody, J.E., Anal. Profiles Drug Subst., 1975, 4, 319, (rev)
  • Czyzyk, A., Med. Welt, 1975, 26, 1928, (pharmacol)
  • Vicente-Pedros, F. et al., J. Pharm. Sci., 1983, 72, 565
  • Negwer, M., Organic-Chemical Drugs and their Synonyms, 6th edn., Akademie-Verlag, 1987, 1694
  • Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 290
  • Soriano-Lesh, M.A. et al., Acta Cryst. C, 1998, 54, 1187-1189, (cryst struct)
  • Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, PDF000; PDF250
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专利

专利

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