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Trazpiroben

CAT: 0804-HY-109162-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-109162-02Size:5 mg
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Description
Trazpiroben (TAK-906) is a dopamine D2/D3 receptor antagonist used for chronic research of moderate-to-severe gastroparesis[1].
CAS Number
1352993-39-5
Product Name Alternative
TAK-906
UNSPSC
12352005
Target
Dopamine 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/trazpiroben.html
Solubility
10 mM in DMSO
Smiles
O=C(O)C1=CC=CC(CN2CN(C3CCCCC3)C4(CCN(CCCC(C5=CC=CC=C5)=O)CC4)C2=O)=C1
Molecular Formula
C31H39N3O4
Molecular Weight
517.66
References & Citations
[1]Kuo B, Scimia C, Dukes G, Zhang W, Gupta S, Chen C, Chuang E, Camilleri M. Randomised clinical trial: safety, pharmacokinetics and pharmacodynamics of trazpiroben (TAK-906), a dopamine D2 /D3 receptor antagonist, in patients with gastroparesis. Aliment Pharmacol Ther. 2021 Aug;54 (3) :267-280.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

Trazpiroben

dopamine D2-D3 receptor antagonist

CAS Number1352993-39-5
PubChem CID54768846
IUPAC Name3-[[1-cyclohexyl-4-oxo-8-(4-oxo-4-phenylbutyl)-1,3,8-triazaspiro[4.5]decan-3-yl]methyl]benzoic acid
Molecular FormulaC31H39N3O4
Molecular Weight517.7
XLogP2.3
Topological Polar Surface Area81.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count38
Formal Charge0
Complexity827
SMILES
C1CCC(CC1)N2CN(C(=O)C23CCN(CC3)CCCC(=O)C4=CC=CC=C4)CC5=CC(=CC=C5)C(=O)O
InChI
InChI=1S/C31H39N3O4/c35-28(25-10-3-1-4-11-25)15-8-18-32-19-16-31(17-20-32)30(38)33(23-34(31)27-13-5-2-6-14-27)22-24-9-7-12-26(21-24)29(36)37/h1,3-4,7,9-12,21,27H,2,5-6,8,13-20,22-23H2,(H,36,37)
InChIKey
BDXJYAAYLZTLEK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trazpiroben
CAS: 1352993-39-5
CID: 54768846
Formula: C31H39N3O4
MW: 517.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight517.7
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass517.29405673
Monoisotopic Mass517.29405673
Topological Polar Surface Area81.2 Ų
Heavy Atom Count38
Formal Charge0
Complexity827
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

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CatalogName
MBS5799350Trazpiroben

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