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111072-31-2 分子结构
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sodium 2,3-bis(2-methoxy-4-nitro-5-sulfonatophenyl)-5-(phenylcarbamoyl)-3H-1,2$l^{5},3,4-tetrazol-2-ylium

ChemBase编号:105096
分子式:C22H16N7NaO13S2
平均质量:673.52131
单一同位素质量:673.01451989
SMILES和InChIs

SMILES:
[Na+].COc1cc(c(cc1n1nc(n[n+]1c1c(OC)cc(c(c1)S(=O)(=O)[O-])[N+](=O)[O-])C(=O)Nc1ccccc1)S(=O)(=O)[O-])[N+](=O)[O-]
Canonical SMILES:
COc1cc([N+](=O)[O-])c(cc1[n+]1nc(nn1c1cc(c(cc1OC)[N+](=O)[O-])S(=O)(=O)[O-])C(=O)Nc1ccccc1)S(=O)(=O)[O-].[Na+]
InChI:
InChI=1S/C22H17N7O13S2.Na/c1-41-17-8-15(28(31)32)19(43(35,36)37)10-13(17)26-24-21(22(30)23-12-6-4-3-5-7-12)25-27(26)14-11-20(44(38,39)40)16(29(33)34)9-18(14)42-2;/h3-11H,1-2H3,(H2-,23,30,35,36,37,38,39,40);/q;+1/p-1
InChIKey:
JACYMBNQPPWQML-UHFFFAOYSA-M

引用这个纪录

CBID:105096 http://www.chembase.cn/molecule-105096.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
sodium 2,3-bis(2-methoxy-4-nitro-5-sulfonatophenyl)-5-(phenylcarbamoyl)-3H-1,2$l^{5},3,4-tetrazol-2-ylium
sodium 2,3-bis(2-methoxy-4-nitro-5-sulfonatophenyl)-5-(phenylcarbamoyl)-3H-1,2λ5,3,4-tetrazol-2-ylium
IUPAC传统名
potassium 2,3-bis(2-methoxy-4-nitro-5-sulfonatophenyl)-5-(phenylcarbamoyl)-1,2$l^{5},3,4-tetrazol-2-ylium
sodium 2,3-bis(2-methoxy-4-nitro-5-sulfonatophenyl)-5-(phenylcarbamoyl)-1,2λ5,3,4-tetrazol-2-ylium
别名
2,3-双(2-甲氧基-4-硝基-5-磺苯基)-2H-四唑-5-甲酰胺内盐 内盐
XTT 钠盐
2,3-Bis(2-methoxy-4-nitro-5-sulfophenyl)-2H-tetrazolium-5-carboxanilide inner salt
XTT sodium salt
2,3-bis[2-Methoxy-4-nitro-5-sulfophenyl]-2H-tetrazolium-5-carboxanilide inner salt
XTT SODIUM SALT
CAS号
111072-31-2
MDL号
MFCD00083517
PubChem SID
24902147
24902150
162092376
PubChem CID
14195569

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID
PubChem 14195569 external link

理论计算性质

理论计算性质

JChem
Acid pKa -3.4246118  质子受体 15 
质子供体 LogD (pH = 5.5) -1.0607483 
LogD (pH = 7.4) -1.0817388  Log P -0.9447149 
摩尔折射率 170.6637 cm3 极化性 57.050995 Å3
极化表面积 288.19 Å2 可自由旋转的化学键 10 
里宾斯基五规则 false 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
溶解度
H2O: soluble2.5 mg/mL (hot) expand 查看数据来源
外观
powder expand 查看数据来源
保存条件
2-8°C 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
下载链接 expand 查看数据来源
德国WGK号
3 expand 查看数据来源
个人保护装置
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand 查看数据来源
保存温度
2-8°C expand 查看数据来源
纯度
~90% expand 查看数据来源
≥90% expand 查看数据来源
质检报告
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
适用性
suitable for cell culture expand 查看数据来源
产品线
BioReagent expand 查看数据来源
Empirical Formula (Hill Notation)
C22H16N7NaO13S2 expand 查看数据来源

详细说明

详细说明

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals -  02194601 external link
Cell Culture Reagent
Purity: ~90%
A useful tetrazolium derivative for AIDS and cancer research.
MP Biomedicals -  02158788 external link
Purity: ~90%
A useful tetrazolium derivative for AIDS and cancer research.
Sigma Aldrich -  X4626 external link
Application
XTT has been used in conjunction with phenazine methosulfate (PMS) to screen human cancer cell lines.1 The tetrazolium dye has also been used to study fungal cell damage,2 in testing antimicrobial susceptibility of staphylococci,3 and in Candida biofilm research.4 Limitations to the XTT assay have been reported.5
Principle
In living cells, XTT is metabolically reduced to produce a colorimetric, water-soluble formazan product.
Sigma Aldrich -  X4251 external link
Application
XTT has been used in conjunction with phenazine methosulfate (PMS) to screen human cancer cell lines.1 The tetrazolium dye has also been used to study fungal cell damage, in testing antimicrobial susceptibility of staphylococci, and in Candida biofilm research. Limitations to the XTT assay have been reported.
对于艾滋病和癌症的检测有用。1
Principle
In living cells, XTT is metabolically reduced to produce a colorimetric, water-soluble formazan product.

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Scudievo, et al., Cancer Res., 48: 4827, (1988).
  • Scudievo, et al., Cancer Res., 48: 4827, (1988).
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专利

专利

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互联网资源

互联网资源

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