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BW A868C

CAT: 0013-GTR19201595-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201595-02Size:5 mg
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Description
BW A868C is a hydantoin-based structural analog of BW245C and acts as a selective, competitive PGD2 receptor antagonist. It exhibits high potency and specificity, showing no significant activity at other prostanoid receptors (IP, EP1, EP2, TP, FP) . This compound is a valuable research tool for investigating PGD2-mediated pathways in both in vitro and in vivo models of allergy, inflammation, and sleep regulation.
CAS Number
118675-50-6
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
N (CC (O) C1CCCCC1) N2C (CCCCCCC (O) =O) C (=O) N (CC3=CC=CC=C3) C2=O
Molecular Formula
C25H37N3O5
Molecular Weight
459.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bwa868C

BW A868C is an imidazolidine-2,4-dione.

CAS Number118675-50-6
PubChem CID122021
IUPAC Name7-[1-benzyl-3-[(2-cyclohexyl-2-hydroxyethyl)amino]-2,5-dioxoimidazolidin-4-yl]heptanoic acid
Molecular FormulaC25H37N3O5
Molecular Weight459.6
XLogP1.7
Topological Polar Surface Area110
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count33
Formal Charge0
Complexity646
SMILES
C1CCC(CC1)C(CNN2C(C(=O)N(C2=O)CC3=CC=CC=C3)CCCCCCC(=O)O)O
InChI
InChI=1S/C25H37N3O5/c29-22(20-13-7-4-8-14-20)17-26-28-21(15-9-1-2-10-16-23(30)31)24(32)27(25(28)33)18-19-11-5-3-6-12-19/h3,5-6,11-12,20-22,26,29H,1-2,4,7-10,13-18H2,(H,30,31)
InChIKey
YZJVWSKJHGEIBL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bwa868C
CAS: 118675-50-6
CID: 122021
Formula: C25H37N3O5
MW: 459.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.6
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass459.27332129
Monoisotopic Mass459.27332129
Topological Polar Surface Area110 Ų
Heavy Atom Count33
Formal Charge0
Complexity646
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
sc-204660ABW A868C

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