Products for Research Use Only
RegisterLogin

KP496

CAT: 0013-GTR19206035-03Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19206035-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
KP496 is a dual antagonist selectively targeting the Thromboxane A2 (TP) and CysLT1 (LTD4) receptors. This small molecule is utilized in research to investigate inflammatory and respiratory pathways, with applications in both in vitro binding assays and in vivo models of asthma and related disorders.
CAS Number
217799-03-6
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
S (N (CC1=CC (OCC2=NC (C (C) C) =CS2) =CC=C1) CCCCNS (=O) (=O) C3=CC=C (Cl) C=C3) (=O) (=O) C4=C (C (O) =O) C=CC=C4
Molecular Formula
C31H34ClN3O7S3
Molecular Weight
692.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

KP-496

a dual antagonist at the cysteinyl leukotriene receptor 1 and the thromboxane A(2) receptor

CAS Number217799-03-6
PubChem CID11578433
IUPAC Name2-[4-[(4-chlorophenyl)sulfonylamino]butyl-[[3-[(4-propan-2-yl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]sulfamoyl]benzoic acid
Molecular FormulaC31H34ClN3O7S3
Molecular Weight692.3
XLogP5.8
Topological Polar Surface Area188
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count16
Heavy Atom Count45
Formal Charge0
Complexity1140
SMILES
CC(C)C1=CSC(=N1)COC2=CC=CC(=C2)CN(CCCCNS(=O)(=O)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4C(=O)O
InChI
InChI=1S/C31H34ClN3O7S3/c1-22(2)28-21-43-30(34-28)20-42-25-9-7-8-23(18-25)19-35(45(40,41)29-11-4-3-10-27(29)31(36)37)17-6-5-16-33-44(38,39)26-14-12-24(32)13-15-26/h3-4,7-15,18,21-22,33H,5-6,16-17,19-20H2,1-2H3,(H,36,37)
InChIKey
WMMCMKVGDPXYQS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of KP-496
CAS: 217799-03-6
CID: 11578433
Formula: C31H34ClN3O7S3
MW: 692.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight692.3
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count16
Exact Mass691.1247416
Monoisotopic Mass691.1247416
Topological Polar Surface Area188 Ų
Heavy Atom Count45
Formal Charge0
Complexity1140
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
MBS5766930KP496

Popular Products