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OKADAIC ACID structure, CAS 78111-17-8

OKADAIC ACID

CAS Number78111-17-8

SynonymsHalochondrine A; Okadic acid; 9,10-deepithio-9,10-didehydroacanthifolicin; okadaic acd; MFCD00083455; Okadaic acid; Ocadaic Acid

Molecular FormulaC44H68O13

Molecular Weight805.00

Purity92-100 (HPLC)%

Density1.3±0.1 g/cm3

Boiling Point921.6±65.0 °C at 760 mmHg

Melting Point164-166ºC

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

Symbol6.1(a)

Signal WordWarning

Cat. No.: 2A-1177764 Purity: 92-100 (HPLC)%
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Quality Control of [ 78111-17-8 ] Purity: 92-100 (HPLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number78111-17-8
Catalog No.2A-1177764
Chinese Name冈田(软海绵)酸
SynonymsHalochondrine A; Okadic acid; 9,10-deepithio-9,10-didehydroacanthifolicin; okadaic acd; MFCD00083455; Okadaic acid; Ocadaic Acid
Molecular FormulaC44H68O13
Molecular Weight805.00
Purity92-100 (HPLC)
Density1.3±0.1 g/cm3
Boiling Point921.6±65.0 °C at 760 mmHg
Melting Point164-166ºC
Appearancepowder
Storage ConditionStore in an airtight container in a cool, dry plac
PackagingII
ApplicationOkadaic acid is extracted from black sponges of the genus Halichondria. Okadaic acid is a non-competitive, selective and reversible inhibitor of serine/threonine-specific protein phosphatase 1 (PP1),
HTC29321900
PubChem ID24898069
MDL NumberMFCD00083455
SMILESO[C@@H](C[C@@H]([C@@]1([H])O[C@@]2(CCCCO2)CC[C@H]1C)C)[C@]3([H])C([C@@H](O)[C@]4([H])O[C@]5(CC[C@@](/C=C/[C@@H](C)[C@@]6([H])O[C@]7(O[C@H](C[C@@](C)(O)C(O)=O)CC[C@H]7O)C=C(C)C6)([H])O5)CC[C@@]4([H])O3)=C
InChI1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39-,41-,42+,43-,44-/m1/s1
InChI KeyQNDVLZJODHBUFM-WFXQOWMNSA-N
NACRES CodeNA.77
UNSPSC12352106
Hazard Symbols6.1(a)
MSDSmsds/178355_1_78111_17_8.pdf
BioactivityOkadaic acid is extracted from black sponges of the genus Halichondria. Okadaic acid is a non-comepetitive, selective and reversible serine/threonine-specific protein phosphatases 1 (PP1), PP2A and PP3 inhibitor with IC50s of 10-15 nM, 0.5 nM and 4 nM, respectively.[1][2] Okadaic acid eliminate metazoan symbionts/parasites by apoptosis[3]. Related Catalog Signaling Pathways >> Apoptosis >> Apoptosis Signaling Pathways >> Metabolic Enzyme/Protease >> Phosphatase Research Areas >> Infection Target IC50: 10-15 nM (PP1), 0.5 nM (PP2) and 4 nM (PP3)[1] References [1]. Bialojan C, et al. Inhibitory effect of a marine-sponge toxin, okadaic acid, on protein phosphatases. Specificity and kinetics. Biochem J. 1988 Nov 15;256(1):283-90. [2]. McCluskey A, et al. Serine-threonine protein phosphatase inhibitors: development of potential therapeutic strategies. J Med Chem. 2002 Mar 14;45(6):1151-75. [3]. Schröder HC, et al. Okadaic acid, an apoptogenic toxin for symbiotic/parasitic annelids in the demosponge Suberites domuncula. Appl Environ Microbiol. 2006 Jul;72(7):4907-16. Chemical & Physical Properties Density 1.3±0.1 g/cm3 Boiling Point 921.6±65.0 °C at 760 mmHg Melting Point 164-166ºC Molecular Formula C44H68O13 Molecular Weight 805.003 Flash Point 269.4±27.8 °C Exact Mass 804.466003 PSA 182.83000 LogP 4.21 Vapour Pressure 0.0±0.6 mmHg at 25°C Index of Refraction 1.585 InChIKey QNDVLZJODHBUFM-WFXQOWMNSA-N SMILES C=C1C(O)C2OC3(CCC(C=CC(C)C4CC(C)=CC5(OC(CC(C)(O)C(=O)O)CCC5O)O4)O3)CCC2OC1C(O)CC(C)C1OC2(CCCCO2)CCC1C
Use ofOkadaic acid is extracted from black sponges of the genus Halichondria. Okadaic acid is a non-comepetitive, selective and reversible serine/threonine-specific protein phosphatases 1 (PP1), PP2A and PP3 inhibitor with IC50s of 10-15 nM, 0.5 nM and 4 nM, respectively.[1][2] Okadaic acid eliminate metazoan symbionts/parasites by apoptosis[3]. Properties Articles170 Name okadaic acid Synonym More Synonyms Okadaic acid Biological Activity Description Okadaic acid is extracted from black sponges of the genus Halichondria. Okadaic acid is a non-comepetitive, selective and reversible serine/threonine-specific protein phosphatases 1 (PP1), PP2A and PP3 inhibitor with IC50s of 10-15 nM, 0.5 nM and 4 nM, respectively.[1][2] Okadaic acid eliminate metazoan symbionts/parasites by apoptosis[3]. Related Catalog Signaling Pathways >> Apoptosis >> Apoptosis Signaling Pathways >> Metabolic Enzyme/Protease >> Phosphatase Research Areas >> Infection IC50: 10-15 nM (PP1), 0.5 nM (PP2) and 4 nM (PP3)[1] References [1]. Bialojan C, et al. Inhibitory effect of a marine-sponge toxin, okadaic acid, on protein phosphatases. Specificity and kinetics. Biochem J. 1988 Nov 15;256(1):283-90. [2]. McCluskey A, et al. Serine-threonine protein phosphatase inhibitors: development of potential therapeutic strategies. J Med Chem. 2002 Mar 14;45(6):1151-75. [3]. Schröder HC, et al. Okadaic acid, an apoptogenic toxin for symbiotic/parasitic annelids in the demosponge Suberites domuncula. Appl Environ Microbiol. 2006 Jul;72(7):4907-16. Chemical & Physical Properties Molecular Formula C44H68O13 Exact Mass 804.466003 PSA 182.83000 Index of Refraction 1.585 InChIKey QNDVLZJODHBUFM-WFXQOWMNSA-N
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 3462 International Maritime Transport Danger Regulations: 3462 International Air Transport Danger Regulations: 3462 14.2 United Nations shipping name European Land Transport Dangerous Regulations: TOXINS EXTRAC TED FROM LIVING SOURCES, SOLID, N.O.S. (Okadaic acid) IMDG Code: TOXINS, EXTRACTED FROM LIVING SOURCES, SOLID, N.O.S. (Okadaic acid) International air transport hazard regulations: Toxins, extracted from living sources, solid, n.o.s. (Okadaic acid) 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: I International Dangerous Regulations for sea transport: I International Dangerous Regulations for air transport: I 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 14.6 Special reminder to users No data available
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