基本情報
- CAS
148504-34-1- 標準SMILES
CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)Cc1cc2c(cc1OC(C)=O)Oc1cc(OC(C)=O)c(CN(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)cc1C21OC(=O)c2ccccc21- InChIKey
BQRGNLJZBFXNCZ-UHFFFAOYSA-N- 分子式
- C46H46N2O23
- 平均分子量
- 994.9 g/mol
- 単同位体質量
- 994.24913572
概要
Calcein am is an organic heteropentacyclic compound that is calcein in which all four carboxy group hydrogens have been substituted by (acetyloxy)methoxy groups and the hyrodgens of the two hydroxy groups have been substituted by acetyl groups. It is a a non-fluorescent probe cleaved to a fluorescent probe by non-specific intracellular esterases. It has a role as a fluorochrome. It is a gamma-lactone, a xanthene dye, an oxaspiro compound, an organic heteropentacyclic compound, a member of 2-benzofurans and an acetate ester. It is functionally related to a calcein.
名称と識別子
- 優先名称
- calcein AM
- IUPAC
- acetyloxymethyl 2-[[2-(acetyloxymethoxy)-2-oxoethyl]-[[3',6'-diacetyloxy-7'-[[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]methyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]methyl]amino]acetate
- 現地名
- カルセインAM
- 英語名
- CALCEIN-AM
- 分子式
- C46H46N2O23
- 分子量
- 994.86
名称と別名
Calcein AM148504-34-1calcein-acetoxymethyl esteracetoxymethyl 2-[[2-(acetoxymethoxy)-2-oxo-ethyl]-[[3',6'-diacetoxy-7'-[[bis[2-(acetoxymethoxy)-2-oxo-ethyl]amino]methyl]-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-2'-yl]methyl]amino]acetateDTXSID101043565CHEBI:3303acetoxymethyl 2-((2-(acetoxymethoxy)-2-oxo-ethyl)-((3',6'-diacetoxy-7'-((bis(2-(acetoxymethoxy)-2-oxo-ethyl)amino)methyl)-3-oxo-spiro(isobenzofuran-1,9'-xanthene)-2'-yl)methyl)amino)acetateRefChem:122727DTXCID601526081Glycine, N,N'-((3',6'-bis(acetyloxy)-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-2',7'-diyl)bis(methylene))bis(N-(2-((acetyloxy)methoxy)-2-oxoethyl))-, bis((acetyloxy)methyl) estercalcein-AMCalcein, AM
名称をさらに表示
カルセインAMカルセイン AM (3',6'-ジ(O-アセチル)-2',7'-ビス[N,N-ビス(カルボキシメチル)アミノメチル]フルオレセインテトラアセトキシメチルエステル)CALCEIN AM FLUORESCENT DYE 1MGカルセイン-AM溶液(1MM/L DMSO) (3',6'-ジ(O-アセチル)-4',5'-ビス[N,N-ビス(カルボキシメチル)アミノメチル]フルオレセインテトラアセトキシメチルエステル)CALCEIN AM FLUORESCENT DYE 10X50UG
物性
構造計算による物性
- XLogP
- 2.9
- 極性表面積
- 305 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 25
- 回転可能結合数
- 32
- 重原子数
- 71
- 形式電荷
- 0
- 複雑度
- 1,810
物理化学的性質
- 融点
- 250 ℃ · >250℃
- 沸点
- 982.7 · 982.7±65.0 °C(Predicted)
- 比重(密度)
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- 屈折率
- 20 · n20/D 1.479
- 闪点
- 85 °C · 85 °C
- 貯蔵温度
- -20 °C · -20°C
- 溶解性
- 10 mg/mL · DMSO：可溶10mg/mL 無色透明～微黄色
- 外見
- 粉
- 酸解離定数(Pka)
- 2.66 · 2.66±0.50(Predicted)
- 色
- 無色
- InChIKey
- BQRGNLJZBFXNCZ-UHFFFAOYSA-N
- SMILES
- C12(C3=C(C=C(OC(C)=O)C(CN(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O)=C3)OC3=C1C=C(CN(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O)C(OC(C)=O)=C3)C1=C(C=CC=C1)C(=O)O2
化学的性質
化学的特性A colorless to slightly yellow solid. Soluble in dimethyl sulfoxide.
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
安全データ
- F
- 10-21
- wgk
- 3
- ridadr
- NA 1993 / PGIII
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Chemicals that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.
応用分野
使用Calcein-AM appears to best satisfy the criteria for assaying cell adhesion and to have the least effect on cell viability and cell functions.
一般的な説明Liposomes contain a self-quenching fluorescent dye called calcein. It is a fluorescent dye with excitation and emission wavelengths of 495/515 nm, respectively. It self-quenches at concentrations above 70mM and is commonly used as an indicator of lipid vesicle leakage. The leakage rate is calculated on the basis of the fluorescence increment as the entrapped calcein is leaked out of the liposomal compartment. It is used as a complexometric indicator for titration of calcium ions with EDTA, and for fluorometric determination of calcium.
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