Nodularin
Names
[ CAS No. ]:
118399-22-7
[ Name ]:
Nodularin
[Synonym ]:
(2Z,5R,6S,9S,12S,13S,16R)-9-{3-[(diaminomethylidene)amino]propyl}-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentaazacyclononadecane-5,16-dicarboxylic acid
Nodularin
(2Z,5R,6S,9S,12S,13S,16R)-9-(3-Carbamimidamidopropyl)-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentaazacyclononadecane-5,16-dicarboxylic acid
1,4,8,11,15-Pentaazacyclononadecane-5,16-dicarboxylic acid, 9-[3-[(aminoiminomethyl)amino]propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-, (2Z,5R,6S,9S,12S,13S,16R)-
Nodularin solution
1,4,8,11,15-Pentaazacyclononadecane,cyclic peptide
MFCD00165004
1,4,8,11,15-pentaazacyclononadecane-5,16-dicarboxylic acid, 9-[3-[(diaminomethylene)amino]propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-1,3-heptadien-1-yl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-, (2Z,5R,6S,9S,12S,13S,16R)-
Chemical & Physical Properties
[ Density]:
1.3±0.1 g/cm3
[ Molecular Formula ]:
C41H60N8O10
[ Molecular Weight ]:
824.963
[ Flash Point ]:
11℃
[ Exact Mass ]:
824.443237
[ PSA ]:
282.44000
[ LogP ]:
-0.56
[ Index of Refraction ]:
1.598
[ Storage condition ]:
−20°C
[ Water Solubility ]:
methanol: 2 mg/mL Further dilute to 10% (v/v) methanol. Store solutions at −20°C for up to six months.
MSDS
Safety Information
[ Symbol ]:
GHS02, GHS06, GHS08
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H225-H301 + H311 + H331-H370
[ Precautionary Statements ]:
P210-P260-P280-P301 + P310-P311
[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US)
[ Hazard Codes ]:
T: Toxic;
[ Risk Phrases ]:
23/24/25-38
[ Safety Phrases ]:
36/37-45
[ RIDADR ]:
UN 2811 6.1/PG 2
[ WGK Germany ]:
3
[ RTECS ]:
GU2294250
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Articles
Water Res. 46(5) , 1536-48, (2012)
The treatment of cyanobacterial metabolites can consume many resources for water authorities which can be problematic especially with the recent shift away from chemical- and energy-intensive processe...
Simultaneous detection of nine cyanotoxins in drinking water using dual solid-phase extraction and liquid chromatography-mass spectrometry.Toxicon 58(2) , 209-18, (2011)
A solid-phase extraction (SPE)-liquid chromatography (LC)-mass spectrometry (MS) method was developed to concentrate and detect nine cyanotoxins simultaneously, including six microcystins (MCs) congen...
Tumor promoters--microcystin-LR, nodularin and TNF-α and human cancer development.Anticancer Agents Med. Chem. 11(1) , 4-18, (2011)
Microcystin-LR and nodularin, along with okadaic acid, are potent inhibitors of protein phosphatases 1 and 2A (PP1 and PP2A). The mechanisms of action of microcystin-LR and nodularin in the liver and ...