CAS 3895-92-9 MFCD00060717-1,2-Dimethoxy-12-Methyl-[1,3]Dioxolo[4’,5’:4,5]Benzo[1,2-C]Phenanthridin-12-Ium Chloride 1,2-二甲氧基-12-甲基-[1,3]二氧杂环戊烯并[4’,5’:4,5]苯并[1,2-C]菲啶-12-鎓氯化物 TAO{mole}

1,2-Dimethoxy-12-Methyl-[1,3]Dioxolo[4’,5’:4,5]Benzo[1,2-C]Phenanthridin-12-Ium Chloride 1,2-二甲氧基-12-甲基-[1,3]二氧杂环戊烯并[4’,5’:4,5]苯并[1,2-C]菲啶-12-鎓氯化物

CAS 3895-92-9 MFCD00060717

化学结构图

SMILES: COc1ccc2c(c[n+](C)c3c4cc5c(cc4ccc23)OCO5)c1OC.[Cl-]

化学属性

Mol. Formula	C21H18NO4.Cl
Mol. Weight	383.85
Melting Point	195-205 ºC
TSCA	No
Solubility	Soluble in methanol, 100% ethanol, water(warm) (2 mg/ml), and DMSO (≥10 mg/ml).

别名和识别编码

Chemical Name	1,2-Dimethoxy-12-Methyl-[1,3]Dioxolo[4’,5’:4,5]Benzo[1,2-C]Phenanthridin-12-Ium Chloride
MDL Number	MFCD00060717
CAS Number	3895-92-9
Synonym	1,2-Dimethoxy-N-methyl(1,3)benzodioxolo(5,6-c)phenanthridinium chloride Toddaline Chelerythrine chloride 白菜屈红碱氯化物; 白屈菜赤碱氯化物;白屈菜赤碱 (1,3)Benzodioxolo(5,6-c)phenanthridinium, 1,2-dimethoxy-12-methyl-, 1,2-Dimethoxy-N-methyl-[1,3]benzodioxolo[5,6-c]phenanthridinium chloride
PubChem Substance ID	72311
EC Number	223-444-9
Merck Number	14,2051
Chemical Name Translation	1,2-二甲氧基-12-甲基-[1,3]二氧杂环戊烯并[4’,5’:4,5]苯并[1,2-C]菲啶-12-鎓氯化物
LabNetwork Molecule ID	LN00194495
InChI	InChI=1S/C21H18NO4.ClH/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1

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分类

{SNA} Alkaloid
{SNA} Alkaloid, Bioactive Small Molecules, Biochemicals and Reagents, C-CH, Cell Signaling and Neuroscience, Enzyme Inhibitors, Enzyme Inhibitors by Enzyme, Enzymes, Inhibitors, and Substrates, Kinase/Phosphatase Biology, Nutrition Research, P to Q, Phytochemicals by Chemical Classification, Protein Kinase C (PKC), Protein Kinase Inhibitors, Protein kinase A, Protein kinase C, Protein kinase, tyrosine, Serine/Threonine Kinase Biology, Serine/Threonine Kinase Inhibitors, 细胞生物学
{SNA} Alkaloid, Bioactive Small Molecules, Biochemicals and Reagents, C-CH, Cell Biology,

产品应用

A potent and selective inhibitor of protein kinase C.

安全信息

GHS Symbol

WGK Germany3

Hazard statements

H332 Harmful if inhaled 吸入有害
H315 Causes skin irritation 会刺激皮肤
H302 Harmful if swallowed 吞食有害
H312 Harmful in contact with skin 皮肤接触有害
H335 May cause respiratory irritation 可能导致呼吸道刺激
H319 Causes serious eye irritation 严重刺激眼睛

RTECSFL9200000

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。
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。
P305+P351+P338

Signal word Warning

Hazard Codes Xn

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 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；

Risk Statements

R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
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 储存温度-20°C

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 18500 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PLMEAA Planta Medica.  (Georg Thieme Verlag, Postfach 732, D-7000 Stuttgart
   1, Fed. Rep. Ger.) V.1-    1953-  Volume(issue)/page/year: 43,161,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 95 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PLMEAA Planta Medica.  (Georg Thieme Verlag, Postfach 732, D-7000 Stuttgart
   1, Fed. Rep. Ger.) V.1-    1953-  Volume(issue)/page/year: 43,161,1981

其他信息

Chelerythrine chloride Is an isoquinoline alkaloid isolated from the root of Zanthoxylum simulans, Chelidonium majus L., and other Papaveraceae. It has been reported to be a potent and selective inhibitor of PKC (protein kinase C, IC50=0.66 μM), and an independent activator of MAPK pathways. The compound has been observed to induce apoptosis in HL-60 human promyelocytic leukemia cells. The proposed method of action of apoptotic stimulation is through the inhibition of binding BclXL to Bax or Bad at an IC50 = 1.5 μM. When used in combination with cisplatin inhibition of cell proliferation of non-small cell lung cancer cells was increased in an additive/synergistic pattern. Also through inhibition of thromboxane formation and phosphoinositide breakdown chelerythrine chloride was demonstrated to inhibit rabbit platelet aggregation and release. Chelerythrine Chloride is an inhibitor of Cox-2.