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ZK-158252

CAT: 0804-HY-122175Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-122175Size:1 Each
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Description
ZK-158252 is a leukotriene B4 type-2 receptor (BLT2) antagonist[1].
CAS Number
162362-36-9
UNSPSC
12352005
Target
Leukotriene Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/zk-158252.html
Smiles
O=C(CCC/C=C1[C@@H](CCCC/1)/C=C/C=C/[C@@H](C2(CCC2)CC#CC3=CC=CC=C3)O)O
Molecular Formula
C29H36O3
Molecular Weight
432.59
References & Citations
[1]Daisuke Yasuda, et al. Helix 8 of leukotriene B4 type-2 receptor is required for the folding to pass the quality control in the endoplasmic reticulum. FASEB J. 2009 May;23 (5) :1470-81.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(5E)-5-[(2S)-2-[(1E,3E,5S)-5-hydroxy-5-[1-(3-phenylprop-2-ynyl)cyclobutyl]penta-1,3-dienyl]cyclohexylidene]pentanoic acid
CAS Number162362-36-9
PubChem CID15298768
IUPAC Name(5E)-5-[(2S)-2-[(1E,3E,5S)-5-hydroxy-5-[1-(3-phenylprop-2-ynyl)cyclobutyl]penta-1,3-dienyl]cyclohexylidene]pentanoic acid
Molecular FormulaC29H36O3
Molecular Weight432.6
XLogP6.4
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity750
SMILES
C1CC/C(=C\CCCC(=O)O)/[C@@H](C1)/C=C/C=C/[C@@H](C2(CCC2)CC#CC3=CC=CC=C3)O
InChI
InChI=1S/C29H36O3/c30-27(29(22-11-23-29)21-10-14-24-12-2-1-3-13-24)19-8-6-17-25-15-4-5-16-26(25)18-7-9-20-28(31)32/h1-3,6,8,12-13,17-19,25,27,30H,4-5,7,9,11,15-16,20-23H2,(H,31,32)/b17-6+,19-8+,26-18+/t25-,27-/m0/s1
InChIKey
HILRZHRCCODTSA-KQESGDGNSA-N
Chemical Structure
2D Structure
2D structure of (5E)-5-[(2S)-2-[(1E,3E,5S)-5-hydroxy-5-[1-(3-phenylprop-2-ynyl)cyclobutyl]penta-1,3-dienyl]cyclohexylidene]pentanoic acid
CAS: 162362-36-9
CID: 15298768
Formula: C29H36O3
MW: 432.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.6
XLogP36.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass432.26644501
Monoisotopic Mass432.26644501
Topological Polar Surface Area57.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity750
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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