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ChemicalBook--->CAS DataBase List--->118399-22-7

118399-22-7

118399-22-7 Structure

118399-22-7 Structure
IdentificationBack Directory
[Name]

NODULARIN
[CAS]

118399-22-7
[Synonyms]

NODULARIN
Nodularin-R solution
Nodularin solution
IXBQSRWSVIBXNC-HSKGSTCASA-N
Nodularin, Nodularia spumigena
yl-10-phenyl-3-aminodecanoyl-d-gamma-glutamyl)
1,4,8,11,15-Pentaazacyclononadecane, cyclic peptide
Nodularin,1,4,8,11,15-Pentaazacyclononadecane, cyclic peptide
1,4,8,11,15-PENTAAZACYCLONONADECANE, CYCLIC PEPTIDE DERIVATIVE
tyl-l-arginyl-(2s,3s,4e,6e,8s,9s)-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimeth
cyclo((z)-2,3-didehydro-n-methyl-2-aminobutanoyl-erythro-3-methyl-d-beta-aspar
Cyclo[(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyl-4,6-decadienoyl-D-γ-glutamyl-(2Z)-2-(methylamino)-2-butenoyl-(3S)-3-methyl-D-β-aspartyl-L-arginyl]
Cyclo(L-arginyl-(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyl-4,6-decadienoyl-D-gamma-glutamyl-(2Z)-2-(methylamino)-2-butenoyl-(3S)-3-methyl-D-beta-aspartyl)
Cyclo((Z)-2,3-didehydro-N-methyl-2-aminobutanoyl-erythro-3-methyl-D-beta-aspartyl-L-arginyl-(2S,3S,4E,6E,8S,9S)-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyl-3-aminodecanoyl-D-gamma-glutamyl)
[EINECS(EC#)]

621-437-9
[Molecular Formula]

C41H60N8O10
[MDL Number]

MFCD16659855
[MOL File]

118399-22-7.mol
[Molecular Weight]

824.96
Chemical PropertiesBack Directory
[density ]

1.29±0.1 g/cm3(Predicted)
[Fp ]

11℃
[storage temp. ]

−20°C
[solubility ]

methanol: 2 mg/mL Further dilute to 10% (v/v) methanol. Store solutions at −20°C for up to six months.
[form ]

Dry residue containing traces of monobasic potassium phosphate.
[pka]

3.39±0.70(Predicted)
[Sequence]

cyclo({Abu}-{Bas}-Arg-{Oaa}-{Ggu})
[IARC]

3 (Vol. 94) 2010
[EPA Substance Registry System]

Nodularin (118399-22-7)
Safety DataBack Directory
[Hazard Codes ]

T,F,T+
[Risk Statements ]

23/24/25-38-39/23/24/25-11-43-36/37/38-26/27/28
[Safety Statements ]

36/37-45-16-7-36/37/39-26
[RIDADR ]

UN 2811 6.1/PG 2
[WGK Germany ]

3
[RTECS ]

GU2294250
[Hazardous Substances Data]

118399-22-7(Hazardous Substances Data)
[Toxicity]

mouse,LD50,intraperitoneal,60ug/kg (0.06mg/kg),Chemical Research in Toxicology. Vol. 6, Pg. 151, 1993.
Hazard InformationBack Directory
[Description]

The cyanobacterium Nodularia spumigena often contaminates the drinking water of rural communities in developing countries and accumulates in mussels, flounder, and cod from the northern Baltic Sea. Nodularin is a hepatotoxic monocylic pentapeptide produced by the N. spumigena. It is a potent inhibitor of protein phosphatase types 1 (PP1) and 2A (PP2A), exhibiting IC50 values of 1.8 and 0.026 nM, respectively. PP2B is inhibited to a lesser extent with an IC50 of 1.8 μM. No apparent inhibitory effect is observed with PP2C, alkaline phosphatase, acid phosphatase, insulin receptor tyrosine kinase, protein kinase A, phosphorylase kinase, or protein kinase C.
[Uses]

Nodularin-R is a cyclic peptide toxin produced by freshwater cyanobacteria.
[Definition]

Toxin produced by blue green algae.
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