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112529-15-4 分子结构
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5-({4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione hydrochloride

ChemBase编号:44463
分子式:C19H21ClN2O3S
平均质量:392.89964
单一同位素质量:392.09614122
SMILES和InChIs

SMILES:
C(c1ccc(cc1)OCCc1ncc(cc1)CC)C1SC(=O)NC1=O.Cl
Canonical SMILES:
CCc1ccc(nc1)CCOc1ccc(cc1)CC1SC(=O)NC1=O.Cl
InChI:
InChI=1S/C19H20N2O3S.ClH/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17;/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23);1H
InChIKey:
GHUUBYQTCDQWRA-UHFFFAOYSA-N

引用这个纪录

CBID:44463 http://www.chembase.cn/molecule-44463.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
5-({4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione hydrochloride
IUPAC传统名
pioglitazone hydrochloride
5-({4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione hydrochloride
别名
Pioglitazone hydrochloride
Actos
5-(4-(2-(5-ethylpyridin-2-yl)ethoxy)benzyl)thiazolidine-2,4-dione hydrochloride
5-({4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione hydrochloride
Glustin
Zactos
5-(4-[2-(5-Ethyl-2-pyridyl)ethoxy]benzyl)thiazolidine-2,4-dione hydrochloride
5-[[4-[2-(5-Ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-2,4-thiazolidinedione monohydrochloride
Pioglitazone hydrochloride
5-[[4-[2-(5-Ethyl-2-pyridinyl]ethoxy]phenyl]methyl]-2,4-thiazolidinedione Hydrochloride
AD-4833
U-72107A
CAS号
112529-15-4
111025-46-8
MDL号
MFCD04975446
PubChem SID
162049226
PubChem CID
60560

理论计算性质

理论计算性质

JChem
Acid pKa 7.6181993  质子受体
质子供体 LogD (pH = 5.5) 3.212589 
LogD (pH = 7.4) 3.361462  Log P 3.461536 
摩尔折射率 97.3908 cm3 极化性 37.941406 Å3
极化表面积 68.29 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
DMSO expand 查看数据来源
DMSO: ≥10 mg/mL expand 查看数据来源
Methanol expand 查看数据来源
外观
White Solid expand 查看数据来源
white to off-white powder expand 查看数据来源
熔点
193-194°C expand 查看数据来源
疏水性(logP)
3.533 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
保存注意事项
IRRITANT expand 查看数据来源
RTECS编号
XJ5813440 expand 查看数据来源
欧盟危险性物质标志
刺激性(Irritant) 刺激性(Irritant) (Xi) 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
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
36 expand 查看数据来源
安全公开号
26 expand 查看数据来源
26-60 expand 查看数据来源
TSCA收录
false expand 查看数据来源
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
H319 expand 查看数据来源
GHS警示性声明
P280-P264-P305+P351+P338-P337+P313 expand 查看数据来源
P305 + P351 + P338 expand 查看数据来源
保存温度
room temp expand 查看数据来源
生物活性机理
Nuclear receptor peroxisome proliferator activated receptor (PPAR) agonist expand 查看数据来源
纯度
>99% expand 查看数据来源
≥98% (HPLC) expand 查看数据来源
95% expand 查看数据来源
98% 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 expand 查看数据来源
Antihyperlipidaemic agent expand 查看数据来源
Hypoglycemic expand 查看数据来源
Empirical Formula (Hill Notation)
C19H20N2O3S · HCl expand 查看数据来源

详细说明

详细说明

Selleck Chemicals Selleck Chemicals Sigma Aldrich Sigma Aldrich TRC TRC
Selleck Chemicals -  S2046 external link
Research Area: Cancer
Biological Activity:
Sigma Aldrich -  E6910 external link
Biochem/physiol Actions
Pioglitazone hydrochloride is a PPARγ agonist and thiazolidinedione (TZD) anti-diabetic. Pioglitazone is a selective agonist of the nuclear receptor peroxisome proliferator-activated receptor γ (PPAR-γ) and to a lesser extent PPAR-α.
Toronto Research Chemicals -  P471000 external link
Used as an antidiabetic.

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Hofmann, C., et al.: Endocrinology, 129, 1915(1991)
  • Kobayashi, M., et al.: Diabetes, 41, 476 (1991)
  • Kawaamori, R., et al.,: Diabetes Res. Clin. Pract., 41, 35 (1998)
  • 1. Gillies PS, Dunn CJ (August 2000). Pioglitazone. Drugs 60 (2): 333?3; discussion 344?.
  • 2. Smith U (September 2001). Pioglitazone: mechanism of action. Int J Clin Pract Suppl (121): 13?.
  • 3. Colca JR, McDonald WG, Waldon DJ, Leone JW, Lull JM, Bannow CA, Lund ET, Mathews WR (2004).
  • Identification of a novel mitochondrial protein (mitoNEET) cross-linked specifically by a thiazolidinedione photoprobe. Am. J. Physiol. Endocrinol. Metab. 286 (2): E252?0.
  • 4. Paddock ML, Wiley SE, Axelrod HL, Cohen AE, Roy M, Abresch EC, Capraro D, Murphy AN et al. (2007).
  • MitoNEET is a uniquely folded 2Fe 2S outer mitochondrial membrane protein stabilized by pioglitazone. Proc. Natl. Acad. Sci. U.S.A. 104 (36): 14342?.
  • 5. Belfort R, Harrison SA, Brown K, Darland C, Finch J, Hardies J, Balas B, Gastaldelli A et al. (2006). A placebo-controlled trial of pioglitazone in subjects with nonalcoholic steatohepatitis.
  • N. Engl. J. Med. 355 (22): 2297?07.
  • 6. Lincoff AM, Wolski K, Nicholls SJ, Nissen SE (2007). Pioglitazone and risk of cardiovascular events in patients with type 2 diabetes mellitus: a meta-analysis of randomized trials.
  • JAMA 298 (10): 1180?.
  • 7. Nissen SE, Nicholls SJ, Wolski K (2008). Comparison of pioglitazone vs glimepiride on progression of coronary atherosclerosis in patients with type 2 diabetes. JAMA 299 (13): 1561.
  • 8. R. Baselt, Disposition of Toxic Drugs and Chemicals in Man, 8th edition, Biomedical Publications, Foster City, CA, 2008, pp. 1271-1272.
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专利

专利

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