Products for Research Use Only

KT2-962

CAT: 0013-GTR19208352-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208352-01Size:25 mg
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Description
KT2-962 is a selective antagonist of the thromboxane A2 (TXA2) and prostaglandin endoperoxide (TP) receptor. It is a valuable research tool for investigating the role of these receptors in platelet aggregation, vasoconstriction, and related cardiovascular and inflammatory processes in both in vitro and in vivo studies.
CAS Number
129648-96-0
Smiles
[Na+].CC (C) c1ccc2c (CCCCNS (=O) (=O) c3ccc (Cl) cc3) cc (c2cc1) [SH-] (O) (=O) =O
Molecular Formula
C23H27ClNNaO5S2
Molecular Weight
520.04
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-Isopropyl-3-(4-(4-chlorobenzenesulfonylamino)butyl)azulene-1-sulfonic acid sodium salt

structure given in first source; a prostaglandin endoperoxide receptor antagonist; RN given refers to the mono-sodium salt; RN for parent cpd not available 4/93

CAS Number129648-96-0
PubChem CID23661969
IUPAC Namesodium 3-[4-[(4-chlorophenyl)sulfonylamino]butyl]-6-propan-2-ylazulene-1-sulfonate
Molecular FormulaC23H25ClNNaO5S2
Molecular Weight518.0
Topological Polar Surface Area120
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity804
SMILES
CC(C)C1=CC=C2C(=C(C=C2S(=O)(=O)[O-])CCCCNS(=O)(=O)C3=CC=C(C=C3)Cl)C=C1.[Na+]
InChI
InChI=1S/C23H26ClNO5S2.Na/c1-16(2)17-6-12-21-18(15-23(32(28,29)30)22(21)13-7-17)5-3-4-14-25-31(26,27)20-10-8-19(24)9-11-20;/h6-13,15-16,25H,3-5,14H2,1-2H3,(H,28,29,30);/q;+1/p-1
InChIKey
QIBQVFYOTMPEIP-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 6-Isopropyl-3-(4-(4-chlorobenzenesulfonylamino)butyl)azulene-1-sulfonic acid sodium salt
CAS: 129648-96-0
CID: 23661969
Formula: C23H25ClNNaO5S2
MW: 518.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight518.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass517.0760372
Monoisotopic Mass517.0760372
Topological Polar Surface Area120 Ų
Heavy Atom Count33
Formal Charge0
Complexity804
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes