Products for Research Use Only

Trazpiroben

CAT: 0013-GTR19189725-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189725-02Size:5 mg
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Description
Trazpiroben (TAK-906) is a selective dopamine D2/D3 receptor antagonist investigated for gastroparesis. It is utilized in research to study gastrointestinal motility, with applications in both in vitro receptor binding assays and in vivo models of delayed gastric emptying.
CAS Number
1352993-39-5
Product Name Alternative
Dopamine Receptor, DopamineReceptor, D2 receptor, TAK 906, TAK906, TAK-906, Trazpiroben
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
98.85% (May vary between batches)
Smiles
O=C (O) C1=CC=CC (=C1) CN2C (=O) C3 (N (C2) C4CCCCC4) CCN (CCCC (=O) C=5C=CC=CC5) CC3
Molecular Formula
C31H39N3O4
Molecular Weight
517.66
Storage Conditions
-20°C
Notes
For research use only.

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...
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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