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LY210073

CAT: 0013-GTR19203614-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203614-02Size:100 mg
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Description
LY210073 is a potent and selective antagonist of the Leukotriene B4 (LTB4) receptor, exhibiting an IC50 of 6.2 nM. This small molecule is a valuable research tool for investigating LTB4-mediated inflammatory pathways in both cellular and animal models of diseases such as psoriasis, arthritis, and COPD.
CAS Number
148291-65-0
Field of Research
Pharmacology & Drug Discovery
Smiles
C (CC (O) =O) C1=C2C (C (=O) C=3C (O2) =CC=C (C (O) =O) C3) =CC=C1OCCCC/C=C/C4=CC=C (OC) C=C4
Molecular Formula
C30H28O8
Molecular Weight
516.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

LY 210073

structure in first source; a leukotriene B4 receptor antagonist

CAS Number148291-65-0
PubChem CID6450158
IUPAC Name5-(2-carboxyethyl)-6-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]-9-oxoxanthene-2-carboxylic acid
Molecular FormulaC30H28O8
Molecular Weight516.5
XLogP5.5
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count38
Formal Charge0
Complexity832
SMILES
COC1=CC=C(C=C1)/C=C/CCCCOC2=C(C3=C(C=C2)C(=O)C4=C(O3)C=CC(=C4)C(=O)O)CCC(=O)O
InChI
InChI=1S/C30H28O8/c1-36-21-10-7-19(8-11-21)6-4-2-3-5-17-37-25-15-12-23-28(33)24-18-20(30(34)35)9-14-26(24)38-29(23)22(25)13-16-27(31)32/h4,6-12,14-15,18H,2-3,5,13,16-17H2,1H3,(H,31,32)(H,34,35)/b6-4+
InChIKey
MTTBGOLFCYOWSV-GQCTYLIASA-N
Chemical Structure
2D Structure
2D structure of LY 210073
CAS: 148291-65-0
CID: 6450158
Formula: C30H28O8
MW: 516.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight516.5
XLogP35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass516.17841785
Monoisotopic Mass516.17841785
Topological Polar Surface Area119 Ų
Heavy Atom Count38
Formal Charge0
Complexity832
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T15801-01LY210073

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