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LY433771

CAT: 0804-HY-168765-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-168765-01Size:1 mg
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Description
LY433771 (LSN433771) (Compound 8) is a type X secretory phospholipase A2 (sPLA2) inhibitor with an IC50 value of 3 nM, which can be used in the study of cardiovascular diseases[1][2].
CAS Number
220862-64-6
Product Name Alternative
LSN433771
UNSPSC
12352211
Target
Phospholipase
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Purity
99.8
Solubility
DMSO : 3 mg/mL (ultrasonic; warming)
Smiles
O=C(C1=CC=CC2=C1C3=C(N2CC4CCCCC4)C=CC=C3OCC(O)=O)N
Molecular Formula
C22H24N2O4
Molecular Weight
380.44
References & Citations
[1]Takashi Ono, et al. V TYPE AND/OR X TYPE sPLA2 INHIBITORS. Patent, WO2001026653, 2001-04-19.|[2]Magrioti V, Kokotos G. Phospholipase A2 inhibitors as potential therapeutic agents for the treatment of inflammatory diseases[J]. Expert opinion on therapeutic patents, 2010, 20 (1) : 1-18.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Phospholipase A

Chemical Information

[9-[(Cyclohexyl)methyl]-5-carbamoylcarbazol-4-yl]oxyacetic acid
CAS Number220862-64-6
PubChem CID9929769
IUPAC Name2-[5-carbamoyl-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetic acid
Molecular FormulaC22H24N2O4
Molecular Weight380.4
XLogP4.1
Topological Polar Surface Area94.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity577
SMILES
C1CCC(CC1)CN2C3=C(C(=CC=C3)OCC(=O)O)C4=C(C=CC=C42)C(=O)N
InChI
InChI=1S/C22H24N2O4/c23-22(27)15-8-4-9-16-20(15)21-17(10-5-11-18(21)28-13-19(25)26)24(16)12-14-6-2-1-3-7-14/h4-5,8-11,14H,1-3,6-7,12-13H2,(H2,23,27)(H,25,26)
InChIKey
XQHXEBCEJGFYFD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [9-[(Cyclohexyl)methyl]-5-carbamoylcarbazol-4-yl]oxyacetic acid
CAS: 220862-64-6
CID: 9929769
Formula: C22H24N2O4
MW: 380.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.4
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass380.17360725
Monoisotopic Mass380.17360725
Topological Polar Surface Area94.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity577
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19232484-01LY433771

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