(acetyloxy)methyl 2-({2-[(acetyloxy)methoxy]-2-oxoethyl}[5-(2-{5-[3-(4-{2-[(acetyloxy)methoxy]-2-oxoethyl}piperazin-1-yl)-3-oxopropyl]-2-[bis({2-[(acetyloxy)methoxy]-2-oxoethyl})amino]phenoxy}ethoxy)-2-(5-{[(acetyloxy)methoxy]carbonyl}-1,3-oxazol-2-yl)-1-benzofuran-6-yl]amino)acetate

• ChemBase编号: 102939
• 分子式: C55H63N5O29
• 平均质量: 1258.10482
• 单一同位素质量: 1257.36087102
• SMILES: CC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)c1ccc(CCC(=O)N2CCN(CC2)CC(=O)OCOC(=O)C)cc1OCCOc1cc2cc(oc2cc1N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)c1ncc(o1)C(=O)OCOC(=O)C
• Canonical SMILES: CC(=O)OCOC(=O)CN(c1ccc(cc1OCCOc1cc2cc(oc2cc1N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)c1ncc(o1)C(=O)OCOC(=O)C)CCC(=O)N1CCN(CC1)CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C
• InChI: InChI=1S/C55H63N5O29/c1-33(61)76-27-82-49(68)22-57-11-13-58(14-12-57)48(67)10-8-39-7-9-41(59(23-50(69)83-28-77-34(2)62)24-51(70)84-29-78-35(3)63)44(17-39)74-15-16-75-45-18-40-19-46(54-56-21-47(89-54)55(73)87-32-81-38(6)66)88-43(40)20-42(45)60(25-52(71)85-30-79-36(4)64)26-53(72)86-31-80-37(5)65/h7,9,17-21H,8,10-16,22-32H2,1-6H3
• InChIKey: CGAZNAYDEAJZHQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (acetyloxy)methyl 2-({2-[(acetyloxy)methoxy]-2-oxoethyl}[5-(2-{5-[3-(4-{2-[(acetyloxy)methoxy]-2-oxoethyl}piperazin-1-yl)-3-oxopropyl]-2-[bis({2-[(acetyloxy)methoxy]-2-oxoethyl})amino]phenoxy}ethoxy)-2-(5-{[(acetyloxy)methoxy]carbonyl}-1,3-oxazol-2-yl)-1-benzofuran-6-yl]amino)acetate
• IUPAC传统名: (acetyloxy)methyl 2-({2-[(acetyloxy)methoxy]-2-oxoethyl}[5-(2-{5-[3-(4-{2-[(acetyloxy)methoxy]-2-oxoethyl}piperazin-1-yl)-3-oxopropyl]-2-[bis({2-[(acetyloxy)methoxy]-2-oxoethyl})amino]phenoxy}ethoxy)-2-(5-{[(acetyloxy)methoxy]carbonyl}-1,3-oxazol-2-yl)-1-benzofuran-6-yl]amino)acetate
• 别名: FURA PE-3/AM; Fura PE 3-AM; Fura-2 LeakRes (AM)

登记号

• CAS号: 172890-84-5
• MDL号: MFCD00285848
• PubChem SID: 162090365; 24894737; 24850324
• PubChem CID: 16133371

理论计算性质

• 质子受体: 19
• 质子供体: 0
• LogD (pH = 5.5): 0.44918168
• LogD (pH = 7.4): 0.50026333
• Log P: 0.50095505
• 摩尔折射率: 297.7256 cm^3
• 极化性: 116.16814 Å^3
• 极化表面积: 403.26 Å^2
• 可自由旋转的化学键: 46
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: DMSO: soluble
• 荧光: λex 335 nm; λem 495 nm in 0.1 M Tris pH 8.0, esterase; 10 mM Ca2+

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥85%; ≥95% (TLC); 95%
• 级别: for fluorescence
• Empirical Formula (Hill Notation): C55H63N5O29

详细说明

MP Biomedicals - 02119136

Purity: 95%
A useful calcium metabolism research tool. Hydrolysis by non-specific esterases traps the indicator in the cytosol. This product is soluble in DMSO and in a similar manner to Fura 2/AM this product can be loaded into cells.

Sigma Aldrich - 17081

Application
Fura 2 is one of the most widely used calcium indicators for ratiometric measurement and is highly suitable for digital imaging microscopy.
Features and Benefits
Pale yellow gum. Cell permeable acetoxymethyl ester (AM) derivative of Fura-PE3 with spectral properties similar to the parent compound.
Other Notes
Cell permeable ester of fluorescent calcium probe; abs.: λmax 364 nm; em.: λmax 502 nm1,2

Sigma Aldrich - F0918

Application
Cell permeable fluorescent probe for Ca2+; compared with other probes, there is less compartmentalization and leakage; cells remain brightly fluorescent and responsive to changes in cytosolic free Ca2+ for hours.
Fura 2 is one of the most widely used calcium indicators for ratiometric measurement and is highly suitable for digital imaging microscopy.