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Microcystin RR structure, CAS 111755-37-4

Microcystin RR

CAS Number111755-37-4

SynonymsMFCD00871765; Microcystin RR; microcystin-RR

Molecular FormulaC49H75N13O12

Molecular Weight1038.20

Purity98.00%

Density1.4±0.1 g/cm3

Boiling Point

Melting Point

Flash Point

Appearancewhitish film

EINECS200-659-6

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Cat. No.: 2A-1181684 Purity: 98.00%
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Quality Control of [ 111755-37-4 ] Purity: 98.00% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number111755-37-4
Catalog No.2A-1181684
Chinese Name微囊藻毒素RR
SynonymsMFCD00871765; Microcystin RR; microcystin-RR
Molecular FormulaC49H75N13O12
Molecular Weight1038.20
Purity98.00
Density1.4±0.1 g/cm3
Appearancewhitish film
Water Solubilityethanol: water (1:1): 50 mg/mL
Storage ConditionStore airtight in a cool, dry warehouse. Refrigera
ApplicationMicrocystin RR (Cyanoviridin RR) is a potent orally active protein phosphatase inhibitor. Microcystin RR induces apoptosis and endoplasmic reticulum stress in mouse hepatocytes [1][2].
EINECS200-659-6
PubChem ID329754589
MDL NumberMFCD00871765
SMILESC=C1C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(=O)O)C(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(C=CC(C)=CC(C)C(Cc2ccccc2)OC)C(C)C(=O)NC(C(=O)O)CCC(=O)N1C
InChIInChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1
InChI KeyJIGDOBKZMULDHS-UUHBQKJESA-N
NACRES CodeNA.24
UNSPSC41116107
Hazard Symbolstransportation
BioactivityMicrocystin-RR (Cyanoviridin RR) is a potent and orally active protein phosphatase inhibitor. Microcystin-RR induces Apoptosis and ER stress in mice liver[1][2]. Related Catalog Signaling Pathways >> Apoptosis >> Apoptosis Signaling Pathways >> Metabolic Enzyme/Protease >> Phosphatase Research Areas >> Metabolic Disease In Vivo Microcystin-RR (0, 4..6, 23, 46, 93, 186 µg/mL; gavage; once daily for 7 days) induces apoptosis and increases the expression of Bax and p53 and decreases the expression of Bcl-2 in mouse liver in a dose-dependent manner [2]. Animal Model: 20-22 g, male ICR mice[2] Dosage: 0, 4..6, 23, 46, 93, 186 µg/mL Administration: Gavage; daily for 7 days Result: Induced obvious apoptosis in mice liver with the percentage of apoptotic cells were 10.46, 12.6, 12.7, 13.3, 28.5, and 37.5% for 0, 4..6, 23, 46, 93, 186 µg/mL, respectively; increased the expression of Bax,p53, decreased the expression of Bcl-2 in a dose-dependent manner in mice liver. References [1]. Matsushima R, et al. In vitro and in vivo effects of protein phosphatase inhibitors, microcystins and nodularin, on mouse skin and blastfibros. Biochem Biophys Res Commun. 1990 Sep 14;171(2):867-74. [2]. Huang P, et al. The apoptotic effect of oral administration of microcystin-RR on mice liver. Environ Toxicol. 2011 Oct;26(5):443-52. Chemical & Physical Properties Density 1.4±0.1 g/cm3 Molecular Formula C49H75N13O12 Molecular Weight 1038.200 Flash Point 11 °C Exact Mass 1037.565796 PSA 402.54000 LogP -3.96 Index of Refraction 1.619 InChIKey JIGDOBKZMULDHS-UUHBQKJESA-N SMILES C=C1C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(=O)O)C(C)C(=O)NC(CCCN=C(N )N)C(=O)NC(C=CC(C)=CC(C)C(Cc2ccccc2)OC)C(C)C(=O)NC(C(=O)O)CCC(=O)N1C Storage condition −20°C Water Solubility ethanol: water (1:1): 50 mg/mL
Use ofMicrocystin-RR (Cyanoviridin RR) is a potent and orally active protein phosphatase inhibitor. Microcystin-RR induces Apoptosis and ER stress in mice liver[1][2]. Properties Articles30 Name Microcystin RR from Microcystis aeruginosa Synonym More Synonyms Microcystin RR Biological Activity Description Microcystin-RR (Cyanoviridin RR) is a potent and orally active protein phosphatase inhibitor. Microcystin-RR induces Apoptosis and ER stress in mice liver[1][2]. Related Catalog Signaling Pathways >> Apoptosis >> Apoptosis Signaling Pathways >> Metabolic Enzyme/Protease >> Phosphatase Research Areas >> Metabolic Disease References [1]. Matsushima R, et al. In vitro and in vivo effects of protein phosphatase inhibitors, microcystins and nodularin, on mouse skin and fibroblasts. Biochem Biophys Res Commun. 1990 Sep 14;171(2):867-74. [2]. Huang P, et al. The apoptotic effect of oral administration of microcystin-RR on mice liver. Environ Toxicol. 2011 Oct;26(5):443-52. Chemical & Physical Properties Molecular Formula C49H75N13O12 Exact Mass 1037.565796 PSA 402.54000 LogP -3.96 Index of Refraction 1.619 InChIKey JIGDOBKZMULDHS-UUHBQKJESA-N
Transport InfoProduct name: Purity: 98.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Dangerous Regulations for land transport: 2811 International Dangerous Regulations for sea transport: 2811 International Dangerous Regulations for air transport: 2811 14.2 Names specified by the United Nations (UN) European Land Transport Risk Regulation: TOXIC SOLID, ORGANIC, N.O.S. (Microcystin RR from Microcystis aeruginosa) IMDG Code: TOXIC SOLID, ORGANIC, N.O.S. (Microcystin RR from Microcystis aeruginosa) International Air Transport Risk Regulations: Toxic solid, organic, n.o.s. (Microcystin RR from Microcystis aeruginosa) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Dangerous Regulations for land transport: II International Dangerous Regulations for sea transport: II International Dangerous Regulations for air transport: II 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available
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