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Temanogrel

CAT: 0804-HY-10560-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-10560-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Temanogrel is a highly selective 5-HT2A receptor antagonist with a Ki of 4.9 nM.
CAS Number
887936-68-7
Product Name Alternative
APD791
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
5-HT Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/Temanogrel.html
Purity
98.94
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CN1C(C2=C(OCCN3CCOCC3)C=CC(NC(C4=CC=CC(OC)=C4)=O)=C2)=CC=N1
Molecular Formula
C24H28N4O4
Molecular Weight
436.50
Precautions
H302, H315, H319, H335
References & Citations
[1]Xiong Y, et al. Discovery and structure-activity relationship of 3-methoxy-N- (3- (1-methyl-1H-pyrazol-5-yl) -4- (2-morpholinoethoxy) phenyl) benzamide (APD791) : a highly selective 5-hydroxytryptamine2A receptor inverse agonist for the treatment of arterial thrombosis. J Med Chem. 2010 Jun 10;53 (11) :4412-21.|[2]Przyklenk K, et al. Targeted inhibition of the serotonin 5HT2A receptor improves coronary patency in an in vivo model of recurrent thrombosis. J Thromb Haemost. 2010 Feb;8 (2) :331-40.|[3]Adams JW, et al. APD791, 3-methoxy-n- (3- (1-methyl-1h-pyrazol-5-yl) -4- (2-morpholinoethoxy) phenyl) benzamide, a novel 5-hydroxytryptamine 2A receptor antagonist: pharmacological profile, pharmacokinetics, platelet activity and vascular biology. J Pharmacol Exp Ther. 2009 Oct;331 (1) :96-103.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
5-HT2 Receptor; α-1 microglobulin

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

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319802Temanogrel
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A17094-5Temanogrel 5mg
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A17094-100Temanogrel 100mg
A17094-50Temanogrel 50mg
A17094-200Temanogrel 200mg
A17094-25Temanogrel 25mg
A17094-1Temanogrel 1mg
A17094-10mM-DTemanogrel 10mM * 1mL in DMSO

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