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Basic information
- CAS
143545-90-8- Standard SMILES
C[C@H]1[C@@H](OS(=O)(=O)O)C[C@@H]2C[C@H]([C@@H](O)c3cc(=O)[nH]c(=O)[nH]3)NC3=NC[C@H]1N32- InChIKey
LHJPHMKIGRLKDR-VDPNAHCISA-N- Molecular formula
- C15H21N5O7S
- Average molar mass
- 415.42 g/mol
Names & identifiers
- Preferred name
- CYLINDROSPERMOPSIN
- English name
- CYLINDROSPERMOPSIN
- Molecular formula
- C15H21N5O7S
- Molecular weight
- 415.42
Names & synonyms
cylindrospermopsinPubChem ID: 426286005a-alpha,7-beta(r*))-(-)-hsulfooxy)-1h-1,8,8b-triazaacenaphthylen-7-yl)methyl)-,(2a-alpha,3-alpha,4-alp2,4(1h,3h)-pyrimidinedione,6-(hydroxy(2,2a,3,4,5,5a,6,7-octahydro-3-methyl-4-(6-[(R)-Hydroxy[(2aS,3R,4S,5aS,7R)-2,2a,3,4,5,5a,6,7-octahydro-3-methyl-4-(sulfooxy)-1H-1,8,8b-triazaacenaphthylen-7-yl]methyl]-2,4(1H,3H)-pyrimidinedione2,4(1H,3H)-Pyrimidinedione, 6-[(R)-hydroxy[(2aS,3R,4S,5aS,7R)-2,2a,3,4,5,5a,6,7-octahydro-3-methyl-4-(sulfooxy)-1H-1,8,8b-triazaacenaphthylen-7-yl]methyl]-
Database identifiers
- CAS
143545-90-8- PubChem CID
- 42628600
- EC Number
- 802-929-4
- Nikkaji
- J1.275.762J
Properties
Physicochemical properties
- Density
- 1.3937 · 1.3937 (rough estimate)
- refractive index
- 1.646 · 1.6460 (estimate)
- storage temp.
- 20 °C · −20°C
- solubility
- DMSO: soluble
- form
- white powder
- pka
- -3.78 · -3.78±0.18(Predicted)
- FDA UNII
- 2 JIZ556BA3 · 2JIZ556BA3
- EPA Substance Registry System
- Cylindrospermopsin (143545-90-8)
- Symbol(GHS)
- 8 · GHS08,GHS06
- Signal word
- Danger
- Hazard statements
- 341 · H341-H300-H370
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P260-P264-P270-P307+P311-P321-P405-P501-P201-P202-P281-P308+P313-P405-P501
- WGK Germany
- 3 · 3
- RTECS
- 9104310 · UV9104310
- Hazardous Substances Data
- 143545 · 143545-90-8(Hazardous Substances Data)
- Toxicity
- 50 · mouse,LD50,intraperitoneal,2100ug/kg (2.1mg/kg),LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"BLOOD: CHANGES IN SPLEENKIDNEY, URETER, AND BLADDER: OTHER CHANGES,Toxicologist. Vol. 14, Pg. 211, 1994.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- UV9104310
- Toxicity
- mouse,LD50,intraperitoneal,2100ug/kg (2.1mg/kg),LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL"BLOOD: CHANGES IN SPLEENKIDNEY, URETER, AND BLADDER: OTHER CHANGES,Toxicologist. Vol. 14, Pg. 211, 1994.
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS06
- Hazard statements
- H341-H300-H370
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P260-P264-P270-P307+P311-P321-P405-P501-P201-P202-P281-P308+P313-P405-P501
- Hazardous Substances Data
- 143545-90-8(Hazardous Substances Data)
Chemistry & industry
Applications
DescriptionCylindrospermopsin, a tricyclic uracil derivative, is a cyanobacterial toxin that was first discovered in an algal bloom contaminating a local drinking supply on Palm Island in Queensland, Australia after an outbreak of a mysterious disease. Cylindrospermopsin targets protein and glutathione synthesis in hepatocytes (IC50s = 1.3 and 2.4 μM, respectively), leading to cell death. It has been shown to inhibit the activity of the uridine monophosphate synthase complex with a Ki value of 10 μM. Cylindrospermopsin is genotoxic, inducing DNA damage as evidenced by double strand breaks and reducing cell viability in HepG2 cells at 0.1-0.5 μg/ml.
UsesCylindrospermopsin is a cyanotoxin produced by cyanobacterial species and found in many bodies of water.
Suppliers15 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
BOC Sciences[email protected]
上海宏叶生物科技有限公司
Related reactions
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Compound notes
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