2-(2-methoxy-4-{3-methoxy-4-[3-(4-nitrophenyl)-5-phenyl-3H-1,2λ5,3,4-tetrazol-2-ylium-2-yl]phenyl}phenyl)-3-(4-nitrophenyl)-5-phenyl-3H-1,2λ5,3,4-tetrazol-2-ylium 4-methylaniline [(5-bromo-4-chloro-1H-indol-3-yl)oxy]phosphonic acid dichloride

• ChemBase编号: 156019
• 分子式: C55H45BrCl3N12O10P
• 平均质量: 1251.256961
• 单一同位素质量: 1248.13681737
• SMILES: Cc1ccc(cc1)N.COc1cc(ccc1[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1)c1ccc(c(c1)OC)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1.c1cc(c(c2c1[nH]cc2OP(=O)(O)O)Cl)Br.[Cl-].[Cl-]
• Canonical SMILES: Brc1ccc2c(c1Cl)c(c[nH]2)OP(=O)(O)O.Cc1ccc(cc1)N.COc1cc(ccc1[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1)c1ccc(c(c1)OC)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1.[Cl-].[Cl-]
• InChI: InChI=1S/C40H30N10O6.C8H6BrClNO4P.C7H9N.2ClH/c1-55-37-25-29(13-23-35(37)47-43-39(27-9-5-3-6-10-27)41-45(47)31-15-19-33(20-16-31)49(51)52)30-14-24-36(38(26-30)56-2)48-44-40(28-11-7-4-8-12-28)42-46(48)32-17-21-34(22-18-32)50(53)54;9-4-1-2-5-7(8(4)10)6(3-11-5)15-16(12,13)14;1-6-2-4-7(8)5-3-6;;/h3-26H,1-2H3;1-3,11H,(H2,12,13,14);2-5H,8H2,1H3;2*1H/q+2;;;;/p-2
• InChIKey: GDPIIVBVMSORRQ-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: 2-(2-methoxy-4-{3-methoxy-4-[3-(4-nitrophenyl)-5-phenyl-3H-1,2λ^5,3,4-tetrazol-2-ylium-2-yl]phenyl}phenyl)-3-(4-nitrophenyl)-5-phenyl-3H-1,2λ^5,3,4-tetrazol-2-ylium 4-methylaniline [(5-bromo-4-chloro-1H-indol-3-yl)oxy]phosphonic acid dichloride
• IUPAC传统名: (5-bromo-4-chloro-1H-indol-3-yl)oxyphosphonic acid P-toluidine nitro blue tetrazolium(2+) dichloride
• 别名: NBT-X-磷酸盐; NBT-BCIP® 溶液; BCIP®/NBT; NBT-X-phosphate; NBT-BCIP® solution

登记号

• PubChem SID: 162250157
• PubChem CID: 71312258

理论计算性质

• 可自由旋转的化学键: 13
• 里宾斯基五规则: false
• 质子受体: 10
• 质子供体: 0
• LogD (pH = 5.5): 4.4200516
• LogD (pH = 7.4): 4.4200516
• Log P: 4.4200516
• 摩尔折射率: 275.26 cm^3
• 极化性: 82.24111 Å^3
• 极化表面积: 179.28 Å^2

分子性质

理化性质

• 闪点: 152.6 °F; 67 °C

安全信息

• 德国WGK号: 2
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 级别: suitable as substrate for alkaline phosphatase in dot blots
• 产品线: BioReagent

详细说明

Sigma Aldrich - 72091

Other Notes
在酶活性部位产生蓝色沉淀的磷酸酶显色底物1
Physical form
18.8mg/ml 氯化硝基四氮唑蓝溶液；溶于 67% DMSO 的 9.4mg/ml 5-溴-4-氯-3-吲哚基磷酸酯甲苯胺盐
法律信息
BCIP 注册商标 Sigma-Aldrich Co. LLC