Home Other Building Blocks LL Z1640-2

LL Z1640-2

CAS No.:
253863-19-3
Catalog Number:
AG00BEB6
Molecular Formula:
C19H22O7
Molecular Weight:
362.3738
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥99%
1 week
United States
$151
- +
5mg
≥99%
1 week
United States
$411
- +
Product Description
Catalog Number:
AG00BEB6
Chemical Name:
LL Z1640-2
CAS Number:
253863-19-3
Molecular Formula:
C19H22O7
Molecular Weight:
362.3738
MDL Number:
MFCD12912700
IUPAC Name:
(4S,6E,9S,10S,12E)-9,10,18-trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
InChI:
InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,15,18,21-23H,5,8H2,1-2H3/b6-4+,7-3+/t11-,15-,18+/m0/s1
InChI Key:
NEQZWEXWOFPKOT-ULSULSEOSA-N
SMILES:
COc1cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C\C[C@@H](OC(=O)c2c(c1)O)C
Properties
Complexity:
556  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
2  
Exact Mass:
362.137g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
362.378g/mol
Monoisotopic Mass:
362.137g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Resorcylic acid lactones with cytotoxic and NF-κB inhibitory activities and their structure-activity relationships. Journal of natural products 20110527
Total synthesis of TAK-kinase inhibitor LL-Z1640-2 via consecutive macrocyclization and transannular aromatization. Organic letters 20101203
Discovery of anti-inflammatory clinical candidate E6201, inspired from resorcylic lactone LL-Z1640-2, III. Bioorganic & medicinal chemistry letters 20100515
Conformational analyses and MO studies of f152A1 and its analogues as potent protein kinase inhibitors. Journal of chemical information and modeling 20091201
Divergent syntheses of resorcylic acid lactones: L-783277, LL-Z1640-2, and hypothemycin. Chemistry (Weinheim an der Bergstrasse, Germany) 20091102
E6201 [(3S,4R,5Z,8S,9S,11E)-14-(ethylamino)-8, 9,16-trihydroxy-3,4-dimethyl-3,4,9,19-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione], a novel kinase inhibitor of mitogen-activated protein kinase/extracellular signal-regulated kinase kinase (MEK)-1 and MEK kinase-1: in vitro characterization of its anti-inflammatory and antihyperproliferative activities. The Journal of pharmacology and experimental therapeutics 20091101
Role of a cysteine residue in the active site of ERK and the MAPKK family. Biochemical and biophysical research communications 20070216
Chemistry and biology of resorcylic acid lactones. Chemical communications (Cambridge, England) 20070107
Suppression of cadmium-induced JNK/p38 activation and HSP70 family gene expression by LL-Z1640-2 in NIH3T3 cells. Toxicology and applied pharmacology 20040415
Properties