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Calyculin A structure, CAS 101932-71-2

Calyculin A

CAS Number101932-71-2

SynonymsMFCD00133156; Calyculin A

Molecular FormulaC50H81N4O15P

Molecular Weight1009.17

Purity≥90 (HPLC)%

Density1.25g/cm3

Boiling Point

Melting Point247-249 °C

Flash Point

Appearancesolid

EINECS

MSDSChineseEnglish

Symbol6.1(a)

Signal WordWarning

Cat. No.: 2A-9009552 Purity: ≥90 (HPLC)%
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Quality Control of [ 101932-71-2 ] Purity: ≥90 (HPLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number101932-71-2
Catalog No.2A-9009552
Chinese Name蛋白磷酸酯酶抑制剂
SynonymsMFCD00133156; Calyculin A
Molecular FormulaC50H81N4O15P
Molecular Weight1009.17
Purity≥90 (HPLC)
Density1.25g/cm3
Melting Point247-249 °C
Appearancesolid
Storage ConditionStore airtight in a cool, dry warehouse. Refrigera
PackagingII
ApplicationCalyculin A is a potent, cell-permeable inhibitor of protein phosphatase 1 (PP1) and protein phosphatase 2A (PP2A) with an IC50 of 0.5 to 1 nM.
HTC3002.90.5150
UN(IATA)2811
PubChem ID24892795
MDL NumberMFCD06795864
SMILESCOC[C@@H]([C@H](O)[C@H](O)C(=O)NCC[C@H](C)c1nc(\C=C\C[C@@H]2O[C@]3(C[C@@H](O)[C@@H]2C)OC([C@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)\C=C(C)\C(C)=C\C=C\C(C)=C/C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C
InChI1S/C50H81N4O15P/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(65-13)45-46(69-70(61,62)63)49(8,9)50(68-45)26-39(56)34(6)40(67-50)19-15-18-36-27-66-48(53-36)31(3)21-23-52-47(60)44(59)43(58)37(28-64-12)54(10)11/h14-18,20,24,27,31,33-35,37-46,55-59H,19,21,23,25-26,28H2,1-13H3,(H,52,60)(H2,61,62,63)/b16-14+,18-15+,29-20-,30-17+,32-24+/t31-,33+,34-,35-,37-,38-,39+,40-,41-,42+,43-,44-,45+,46-,50+/m0/s1
InChI KeyFKAWLXNLHHIHLA-YCBIHMBMSA-N
Beilstein/REAXYS4903216
NACRES CodeNA.77
UNSPSC12352200
Hazard Symbols6.1(a)
MSDSmsds/9552_1_101932_71_2.pdf
BioactivityCalyculin A is a potent and cell-permeable protein phosphatase 1 (PP1) and protein phosphatase 2A (PP2A) inhibitor with IC50s of 0.5 to 1 nM. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Phosphatase Research Areas >> Cancer References [1]. Ishihara H, et al. Calyculin A and okadaic acid: inhibitors of protein phosphatase activity. Biochem Biophys Res Commun. 1989 Mar 31;159(3):871-7. Chemical & Physical Properties Density 1.25g/cm3 Molecular Formula C50H81N4O15P Molecular Weight 1009.17000 Exact Mass 1008.54000 PSA 296.80000 LogP 5.07988 Index of Refraction 1.57 InChIKey FKAWLXNLHHIHLA-YCBIHMBMSA-N SMILES COCC(C(O)C(O)C(=O)NCCC(C)c1nc(C=CCC2OC3(CC(O)C2C)OC(C(CC(O)C(C)C(O)C(C)C=C(C)C(C)=CC=CC(C)=CC#N)OC)C(OP(=O)(O)O)C3(C)C)co1)N(C)C Storage condition 2-8℃
Use ofCalyculin A is a potent and cell-permeable protein phosphatase 1 (PP1) and protein phosphatase 2A (PP2A) inhibitor with IC50s of 0.5 to 1 nM. Properties Articles35 Name Calyculin A from Discodermia calyx Synonym More Synonyms Calyculin A Biological Activity Description Calyculin A is a potent and cell-permeable protein phosphatase 1 (PP1) and protein phosphatase 2A (PP2A) inhibitor with IC50s of 0.5 to 1 nM. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Phosphatase Research Areas >> Cancer References [1]. Ishihara H, et al. Calyculin A and okadaic acid: inhibitors of protein phosphatase activity. Biochem Biophys Res Commun. 1989 Mar 31;159(3):871-7. Chemical & Physical Properties Molecular Formula C50H81N4O15P Exact Mass 1008.54000 PSA 296.80000 LogP 5.07988 Index of Refraction 1.57 InChIKey FKAWLXNLHHIHLA-YCBIHMBMSA-N Storage condition 2-8℃
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. (Calyculin A) IMDG Code: TOXINS, EXTRACTED FROM LIVING SOURCES, SOLID, N.O.S. (Calyculin A) IMDG: Toxins, extracted from living sources, solid, n.o.s. (Calyculin A) 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 Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 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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