MICROCYSTIN-LR structure, CAS 101043-37-2

MICROCYSTIN-LR

CAS Number101043-37-2

Synonymsakerstox; TOXIN,BLUE-GREENALGA; EINECS 200-659-6; Microcystin-LR; microcystin-lr solution; toxin-lr; microcystin LR; MFCD00131607; 5-L-Arginine-cyanoginosin; 5-L-Arginine-microcystin LA; microcystin-a; MCYST-LR; CYANOGINOSIN-LR

Molecular FormulaC49H74N10O12

Molecular Weight995.17

Purity≥95 (HPLC)%

Density1.3±0.1 g/cm3

Boiling Point

Melting Point

Flash Point

Appearancelyophilized solid

EINECS

MSDSChineseEnglish

Symbol6.1

Signal WordWarning

Cat. No.: 2A-2198133 Purity: ≥95 (HPLC)%
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Quality Control of [ 101043-37-2 ] Purity: ≥95 (HPLC)% SDS Specification MoL

Chemical & Physical Properties
CAS Number101043-37-2
Catalog No.2A-2198133
Chinese Name微囊藻毒素LR
Synonymsakerstox; TOXIN,BLUE-GREENALGA; EINECS 200-659-6; Microcystin-LR; microcystin-lr solution; toxin-lr; microcystin LR; MFCD00131607; 5-L-Arginine-cyanoginosin; 5-L-Arginine-microcystin LA; microcystin-a; MCYST-LR; CYANOGINOSIN-LR
Molecular FormulaC49H74N10O12
Molecular Weight995.17
Purity≥95 (HPLC)
Density1.3±0.1 g/cm3
Appearancelyophilized solid
Water Solubilityethanol: 1 mg/mL
Storage ConditionStore airtight in a cool, dry warehouse. Refrigera
ApplicationMicrocystin-LR is a potent inhibitor of protein phosphatase type 1 and type 2A ((PP1/2A)), with IC50 values ​​of 1.7 nM and 0.04 nM respectively.
MDL NumberMFCD01774058
SMILESN1[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N(C(=C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](C1=O)CCCN=C(N)N)C)C(=O)O)CC(C)C)C)C)C(=O)O)C)\C=C\C(=C\[C@@H]([C@@H](OC)Cc2ccccc2)C)\C
InChI1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
InChI KeyZYZCGGRZINLQBL-GWRQVWKTSA-N
UNSPSC12352200
Hazard Symbols6.1
MSDSmsds/200014_1_101043_37_2.pdf
BioactivityMicrocystin-LR is a potent inhibitor of type 1 and type 2A protein phosphatases (PP1 and PP2A), with IC50s of 1.7 nM and 0.04 nM, respectively. Sequence: Ala-D-Ala-Leu-D-{Bas}-Arg-{Oaa}-D-{Ggu}. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Phosphatase Research Areas >> Inflammation/Immunology Natural Products >> Others Peptides Target IC50: 1.7 nM (PP1), 0.04 nM (PP2A)[1]. In Vitro Microcystins are toxic molecules produced by cyanobacterial blooms due to water eutrophication[2]. Microcystin-LR proves to be a potent inhibitor of type 1 (IC50=1.7 nM) and type 2A (IC50= 0.04 nM) protein phosphatases. Microcystin-LR inhibits the activity of both type 1 and type 2A phosphatases >10-fold more potently than okadaic acid under the same conditions. Type 2A protein phosphatases in dilute mammalian cell extracts are found to be completely inhibited by 0.5 nM microcystin-LR while type 1 protein phosphatases are only slightly affected at this concentration[1]. References [1]. Honkanen RE, et al. Characterization of microcystin-LR, a potent inhibitor of type 1 and type 2A protein phosphatases. J Biol Chem. 1990 Nov 15;265(32):19401-4. [2]. Lone Y, et al. Microcystin-LR Induced Immunotoxicity in Mammals. J Toxicol. 2016:8048125. Chemical & Physical Properties Density 1.3±0.1 g/cm3 Molecular Formula C49H74N10O12 Molecular Weight 995.172 Flash Point 11 °C Exact Mass 994.548767 PSA 340.64000 LogP -1.54 Appearance of Characters solid film Index of Refraction 1.598 InChIKey ZYZCGGRZINLQBL-GWRQVWKTSA-N SMILES C=C1C(=O)NC(C)C(=O)NC(CC(C)C)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 Water Solubility ethanol: 1 mg/mL
Use ofMicrocystin-LR is a potent inhibitor of type 1 and type 2A protein phosphatases (PP1 and PP2A), with IC50s of 1.7 nM and 0.04 nM, respectively. Sequence: Ala-D-Ala-Leu-D-{Bas}-Arg-{Oaa}-D-{Ggu}. Properties Articles45 Name microcystin-LR Synonym More Synonyms Microcystin-LR Biological Activity Description Microcystin-LR is a potent inhibitor of type 1 and type 2A protein phosphatases (PP1 and PP2A), with IC50s of 1.7 nM and 0.04 nM, respectively. Sequence: Ala-D-Ala-Leu-D-{Bas}-Arg-{Oaa}-D-{Ggu}. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Phosphatase Research Areas >> Inflammation/Immunology Natural Products >> Others IC50: 1.7 nM (PP1), 0.04 nM (PP2A)[1]. In Vitro Microcystins are toxic molecules produced by cyanobacterial blooms due to water eutrophication[2]. Microcystin-LR proves to be a potent inhibitor of type 1 (IC50=1.7 nM) and type 2A (IC50= 0.04 nM) protein phosphatases. Microcystin-LR inhibits the activity of both type 1 and type 2A phosphatases >10-fold more potently than okadaic acid under the same conditions. Type 2A protein phosphatases in dilute mammalian cell extracts are found to be completely inhibited by 0.5 nM microcystin-LR while type 1 protein phosphatases are only slightly affected at this concentration[1]. References [1]. Honkanen RE, et al. Characterization of microcystin-LR, a potent inhibitor of type 1 and type 2A protein phosphatases. J Biol Chem. 1990 Nov 15;265(32):19401-4. [2]. Lone Y, et al. Microcystin-LR Induced Immunotoxicity in Mammals. J Toxicol. 2016:8048125. Chemical & Physical Properties Molecular Formula C49H74N10O12 Exact Mass 994.548767 PSA 340.64000 LogP -1.54 Appearance of Characters solid film Index of Refraction 1.598 InChIKey ZYZCGGRZINLQBL-GWRQVWKTSA-N
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 1230 International Maritime Transport Danger Regulations: 1230 International Air Transport Danger Regulations: 1230 14.2 United Nations shipping name European Land Transport Dangerous Regulations: METHANOL, solution IMDG Code: METHANOL, solution IFRS: Methanol, solution 14.3 Transport hazard categories European land transport risk code: 3 (6.1) International sea transport risk code: 3 (6.1) International air transport risk code: 3 (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 Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No
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