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Temanogrel

CAT: 0013-GTR19174099-08Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174099-08Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Temanogrel (APD791) is a potent and selective 5-HT2A receptor antagonist with a Ki of 4.9 nM. This small molecule is a valuable research tool for investigating serotonin signaling in cardiovascular and neurological studies, applicable in both in vitro and in vivo experimental models.
CAS Number
887936-68-7
Product Name Alternative
APD 791, APD791, APD-791, 5-HT Receptor, 5-HT2A, 5-HT2A Receptor, 5-hydroxytryptamine Receptor, 5HTReceptor, 5HT Receptor, Inhibitor, inhibit, Serotonin Receptor, Temanogrel
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
98.74% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (11.45 mM) ; DMSO:125 mg/mL (286.37 mM)
Smiles
COc1cccc (c1) C (=O) Nc1ccc (OCCN2CCOCC2) c (c1) -c1ccnn1C
Molecular Formula
C24H28N4O4
Molecular Weight
436.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Temanogrel

APD791 is an oral anti-thrombotic drug candidate being evaluated in a Phase 1 clinical trial by Arena. APD791 is intended to lower the risk of arterial thrombosis by reducing the amplification of platelet aggregation, arterial constriction and intimal hyperplasia mediated by serotonin.

CAS Number887936-68-7
PubChem CID25177971
IUPAC Name3-methoxy-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide;hydrochloride
Molecular FormulaC24H29ClN4O4
Molecular Weight473.0
Topological Polar Surface Area77.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity588
SMILES
CN1C(=CC=N1)C2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)OC)OCCN4CCOCC4.Cl
InChI
InChI=1S/C24H28N4O4.ClH/c1-27-22(8-9-25-27)21-17-19(26-24(29)18-4-3-5-20(16-18)30-2)6-7-23(21)32-15-12-28-10-13-31-14-11-28;/h3-9,16-17H,10-15H2,1-2H3,(H,26,29);1H
InChIKey
APWHJJLFCMBWQT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Temanogrel
CAS: 887936-68-7
CID: 25177971
Formula: C24H29ClN4O4
MW: 473.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass472.1877331
Monoisotopic Mass472.1877331
Topological Polar Surface Area77.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity588
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

Alternative Products

CatalogName
MBS3842069-01Temanogrel
A17094-10Temanogrel 10mg
HY-10560ATemanogrel (hydrochloride)
A17094-5Temanogrel 5mg
A17094-100Temanogrel 100mg
A17094-50Temanogrel 50mg
MBS5810802Temanogrel hydrochloride
HY-10560RTemanogrel (Standard)
A17094-200Temanogrel 200mg
A17094-25Temanogrel 25mg

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