로즈 벤갈 락톤
로즈벤갈락톤 · 로즈벵골락톤 · Solvent Red 141 · Rose bengal lactone · 4’,5’,7’-tetraiodo-droxy-2 · C.I.Solvent Red 141:C.I.45440:1 · 4,5,6,7-Tetrachloro-2’,4’,5’,7’-tetraiodofluorescein · spiro[isobenzofuran-1(3h),9’-[9h]xanthen]-3-one,4,5,6,7-tetrachloro-3’,6’-dihy
식별자 및 물리적 특성
| CAS No. | 4159-77-7 |
|---|---|
| 분자식 | C20H4Cl4I4O5 |
| 평균 분자량 | 973.7 g/mol |
| 단동위원소 질량 | 971.4992 g/mol |
| SMILES | O=C1OC2(c3cc(I)c(O)c(I)c3Oc3c2cc(I)c(O)c3I)c2c(Cl)c(Cl)c(Cl)c(Cl)c21 |
| InChIKey | IICCLYANAQEHCI-UHFFFAOYSA-N |
| PubChem CID | 69439 |
| EC No. | 211-182-8 |
| DTXSID | DTXSID0048426 |
| 현지명 | 로즈 벤갈 락톤 |
화학 및 물리적 성질
| XLogP | 8.5 |
|---|---|
| 극성 표면적 | 76 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 33 |
| 형식 전하 | 0 |
| 복잡도 | 780 |
| 녹는점 | 280 °C (dec.)(lit.) |
| 저장 조건 | room temp |
| 끓는 점 | 741.8±60.0 °C(Predicted) |
| 밀도 | 2.96±0.1 g/cm3(Predicted) |
| pKa(산도 계수) | 7.03±0.20(Predicted) |
| 물리적 상태 | powder |
| 색상 | pink to red |
| 주요 응용 | 진단 검사 제조혈액학조직학 |
| InChI | 1S/C20H4Cl4I4O5/c21-9-7-8(10(22)12(24)11(9)23)20(33-19(7)31)3-1-5(25)15(29)13(27)17(3)32-18-4(20)2-6(26)16(30)14(18)28/h1-2,29-30H |
| InChIKey | IICCLYANAQEHCI-UHFFFAOYSA-N |
| SMILES | Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C24OC(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c45)c1I |
| EPA | Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo- (4159-77-7) |
화학적 성질
Bluish-pink powder. Soluble in water.
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.This chemical does not meet GHS hazard criteria for 100% (5 of 5) of all reports. |
|---|---|
| 규제 정보 | Chemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-, dipotassium saltSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-, dipotassium salt: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)Not Classified |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-37/39 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
Rose bengal lactone is a potent inhibitor of human metabolism that binds to the proteasome pathway and inhibits the polymerization of tubulin. It has been shown to bind with high affinity to microtubules and inhibit their assembly, which leads to cell death. Rose bengal lactone also binds with high affinity to potassium ion, which may contribute to its anti-cancer effects. This compound has also been found to be an effective inhibitor of goiters in rats by binding with aliphatic hydrocarbons such as cholesterol.
용도
Biological stain; colorant for inks, cellulosics, foods, cosmetics, medicine (diagnostic aid).
제조 및 합성 방법
제조 방법
will Resorcinol and 4,5,6,7-Tetrachloroisobenzofuran-1,3-dione condensation, The resulting 4,5,6,7 – tetrachloro-fluorescein tetraiodide.