CAS 77307-50-7 | SL 0101-1 | CAS Number 77307-50-7

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77307-50-7 | SL 0101-1

CAS No: 77307-50-7 Catalog No: AG005CZF MDL No:

Product Description

Catalog Number:

AG005CZF

Chemical Name:

SL 0101-1

CAS Number:

77307-50-7

Molecular Formula:

C25H24O12

Molecular Weight:

516.4509

IUPAC Name:

[(2S,3S,4S,5R,6S)-4-acetyloxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl] acetate

InChI:

InChI=1S/C25H24O12/c1-10-21(34-11(2)26)24(35-12(3)27)20(32)25(33-10)37-23-19(31)18-16(30)8-15(29)9-17(18)36-22(23)13-4-6-14(28)7-5-13/h4-10,20-21,24-25,28-30,32H,1-3H3/t10-,20+,21-,24-,25-/m0/s1

InChI Key:

SXOZSDJHGMAEGZ-IGKKHSBFSA-N

SMILES:

CC(=O)OC1[C@H](C)OC([C@@H](C1OC(=O)C)O)Oc1c(oc2c(c1=O)c(O)cc(c2)O)c1ccc(cc1)O

Properties

Complexity:

909

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

516.127g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

516.455g/mol

Monoisotopic Mass:

516.127g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

178A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Insights into the inhibition of the p90 ribosomal S6 kinase (RSK) by the flavonol glycoside SL0101 from the 1.5 Å crystal structure of the N-terminal domain of RSK2 with bound inhibitor.	Biochemistry 20120821
Spectaflavoside A, a new potent iron chelating dimeric flavonol glycoside from the rhizomes of Zingiber spectabile Griff.	Bioorganic & medicinal chemistry letters 20120601
Analogs of the RSK inhibitor SL0101: optimization of in vitro biological stability.	Bioorganic & medicinal chemistry letters 20120501
Differential mTOR and ERK pathway utilization by effector CD4 T cells suggests combinatorial drug therapy of arthritis.	Clinical immunology (Orlando, Fla.) 20120201
SHAFTS: a hybrid approach for 3D molecular similarity calculation. 2. Prospective case study in the discovery of diverse p90 ribosomal S6 protein kinase 2 inhibitors to suppress cell migration.	Journal of medicinal chemistry 20110526
Differential regulation of NHE1 phosphorylation and glucose uptake by inhibitors of the ERK pathway and p90RSK in 3T3-L1 adipocytes.	Cellular signalling 20091201
Y-box binding protein-1 serine 102 is a downstream target of p90 ribosomal S6 kinase in basal-like breast cancer cells.	Breast cancer research : BCR 20080101
The selectivity of protein kinase inhibitors: a further update.	The Biochemical journal 20071215
Structural basis for the activity of the RSK-specific inhibitor, SL0101.	Bioorganic & medicinal chemistry 20070715
De novo asymmetric syntheses of SL0101 and its analogues via a palladium-catalyzed glycosylation.	Organic letters 20061026
Influence of rhamnose substituents on the potency of SL0101, an inhibitor of the Ser/Thr kinase, RSK.	Bioorganic & medicinal chemistry 20060901
Homology model of RSK2 N-terminal kinase domain, structure-based identification of novel RSK2 inhibitors, and preliminary common pharmacophore.	Bioorganic & medicinal chemistry 20060901
Sesquiterpenes and flavonol glycosides from Zingiber aromaticum and their CYP3A4 and CYP2D6 inhibitory activities.	Journal of natural products 20040701