Products for Research Use Only

Seratrodast

CAT: 0013-GTR19176350-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19176350-02Size:50 mg
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Description
Seratrodast (ABT-001) is a selective thromboxane A2 receptor (TP) antagonist, first approved in Japan in 1997 for asthma therapy. It is widely used in respiratory disease research to investigate bronchoconstriction and inflammation mechanisms in both in vitro and in vivo experimental models.
CAS Number
112665-43-7
Product Name Alternative
Seratrodast, Prostaglandin Receptor, ProstaglandinReceptor, TXA2R, inhibit, Inhibitor, COX, AA 2414, AA2414, AA-2414, ABT001, ABT-001, ABT 001
Field of Research
Cell Biology, Immunology & Inflammation, Metabolism Research, Molecular Biology, Neuroscience, Pharmacology & Drug Discovery, Signal Transduction
Purity
>98%
Bioactivity
Thromboxane A2 receptor antagonist
Form
Powder
Solubility
DMSO:50 mg/mL (141.07 mM) ;10% DMSO+90% Saline:2.5 mg/mL (7.05 mM)
Smiles
C (CCCCCC (O) =O) (C1=C (C) C (=O) C (C) =C (C) C1=O) C2=CC=CC=C2
Molecular Formula
C22H26O4
Molecular Weight
354.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Seratrodast

Seratrodast is an organic molecular entity.

CAS Number112665-43-7
PubChem CID2449
IUPAC Name7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid
Molecular FormulaC22H26O4
Molecular Weight354.4
XLogP4.4
Topological Polar Surface Area71.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity633
SMILES
CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)C
InChI
InChI=1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-11,18H,5,8-9,12-13H2,1-3H3,(H,23,24)
InChIKey
ZBVKEHDGYSLCCC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Seratrodast
CAS: 112665-43-7
CID: 2449
Formula: C22H26O4
MW: 354.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass354.18310931
Monoisotopic Mass354.18310931
Topological Polar Surface Area71.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity633
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes