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Emodin 大黄素

规格: 98%

CAS: 518-82-1

产品编号: H39949

MDL: MFCD00001207

品牌: INFI

Chemical Name	Emodin, from Rhubarb root and rhizome, content ≥90%, NIFDC traceable
CAS Number	518-82-1
Synonym	1 1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione 1,3,8-Trihydroxy-6-methylanthraquinone, 6-Methyl-1,3,8-trihydroxyanthraquinone, Emodol, Frangula-emodin 1,3,8-Trihydroxy-6-methylanthraquinone, 6-Methyl-1,3,8-trihydroxyanthraquinone, Emodol, Frangula-emodin 1,3,8-trihydroxy-6-methyl-anthraquinon 1,3,8-三羥-6-甲蒽醌 4,5,7-TRIHYDROXY-2-METHYL ANTHRAQUINONE 6-METHYL-1,3,8-TRIHYDROXYANTHROQUINONE 6-Methyl-1,3,8-trihydroxyanthraquinone 8-三羟基-6-甲基蒽醌 9,10-ANTHRACENEDIONE, 1,3,8-TRIHYDROXY-6-METHYL- 9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl- ALOE EMODIN Archin Casanthranol EMODIN EMODOL Emodin Emodin, Frangula Emodin, Rheum Frangula Emodin Frangulic Acid Peristim Persian Berry Lake Rheum Emodin {} {} {
MDL Number	MFCD00001207
Beilstein Registry Number	1888141
EC Number	208-258-8
PubChem Substance ID	3220
Reaxys-RN	1888141
Merck Number	3561
Chemical Name Translation	大黄素
Wiswesser Line Notation	L C666 BV IVJ DQ FQ L1 NQ
LabNetwork Molecule ID	LN00220710
InChI	InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
Canonical SMILES	O=C1C2=C(C=C(C)C=C2O)C(C3=CC(O)=CC(O)=C31)=O

GHS Symbol

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 35 mg/kg
TOXIC EFFECTS :
   Gastrointestinal - other changes
REFERENCE :
   JAFCAU Journal of Agricultural and Food Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC
   20037)  V.1-    1953-  Volume(issue)/page/year: 27,1342,1979

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 10 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 240,1,1990

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 50 ug/plate
REFERENCE :
   BCSTB5 Biochemical Society Transactions.  (Biochemical Soc. Book Depot, POB
   32, Commerce Way, Colchester, Essex CO2 8HP, UK)  V.1-    1973-
   Volume(issue)/page/year: 5,1489,

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 10 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 240,1,1990

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 2 ug/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 188,161,1987

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 5 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 269,27,1992

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - mouse Fibroblast
DOSE/DURATION           : 3 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 240,1,1990

{hazard_

RTECS	CB7920600
Precautionary statements
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。 P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。 P264+P265 P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。 P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。 P302+P350 P302+P352 P302+P352+P332+P313+P362+P364 P304+P340 P305+P351+P338 P305+P351+P338+P337+P313 P319 P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。 P332+P313 P332+P317 P337+P313 P337+P317 P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用 P362+P364 P403+P233 P405 Store locked up. 上锁保管。 P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
H315 Causes skin irritation 会刺激皮肤 H319 Causes serious eye irritation 严重刺激眼睛 H335 May cause respiratory irritation 可能导致呼吸道刺激
WGK Germany	3
Signal word	Warning {} {} {} {} {} {} {} {} {} {} {} {TCI}
Hazard Codes	Xi
Personal Protective Equipment	dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见； S36 Wear suitable protective clothing 穿戴适当的防护服； S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护； S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
Risk Statements
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Storage condition	2-8°C 储存温度 2-8°C
UN Number
Packing Group

抑制NF -κB活化及粘附分子的表达。酪蛋白激酶2（CK2的）抑制剂.

{SA} Ba, X., et al., Trypanosoma Cruzi Induces The Reactive Oxygen Species-PARP-1-RelA Pathway For Up-regulation Of Cytokine Expression In Cardiomyocytes. J. Thorac. Cardiovasc. Surg. 285 , 11596-606, (2010)

{ALD} Merck: 14,3561

Beilstein:8(4)3575

{SA} Zhang, et al., Tyrosine kinase inhibitor emodin suppresses growth of HER-2/neu-overexpressing breast cancer cells in athymic mice and sensitizes these cells to the inhibitory effect of paclitaxel. Clin. Cancer Res. 5 , 343-353, (1999) 摘要

{SA} Kumar, et al., Emodin (3-methyl-1,6,8-trihydroxyanthraquinone) inhibits TNF-induced NF-kappaB activation, IkappaB degradation, and expression of cell surface adhesion proteins in human vascular endothelial cells. Oncogene 17 , 913-918, (1998) 摘要

{TRC} Pan, X., et al.: Biochem. Eng. J., 5, 173

{ALD} Merck: 14,3561

化学属性

Mol. Formula	C15H10O5
Mol. Weight	270
Density	1.583
Melting Point	255
Solubility	Soluble in ethanol, sodium carbonate solution, DMSO (1 mg/ml), aqueous alkali, 1eq. NaOH (100 mM), ammonium hydroxide (10 mg/ml), ether, chloroform, benzene , and THF. Insoluble in water.
Appearance	橙色针状结晶。熔点256-257℃（259-260℃）。溶于乙醇，略溶于乙醚、氯仿、苯，不溶于水。溶于苛性碱水溶液、碳本酸钠水溶液，氨溶液中显樱红色。 powder
Stability	Light,Air sensitive
Boiling Point

*以上化合物性质及应用等信息仅供参考

手性催化剂及配体

合成砌块

医药中间体

Emodin 大黄素

规格: 98%

化学属性

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