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Pimozide-d5

CAT: 0804-HY-W704363-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W704363-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pimozide-d5 (R6238-d5) is the deuterium labeled Pimozide. Pimozide is a dopamine receptor antagonist, with Kis of 1.4 nM, 2.5 nM and 588 nM for dopamine D2, D3 and D1 receptors, respectively, and also has affinity at α1-adrenoceptor, with a Ki of 39 nM; Pimozide also inhibits STAT3 and STAT5.
CAS Number
1794979-08-0
Product Name Alternative
R6238-d5
UNSPSC
12352005
Target
Adrenergic Receptor; Dopamine Receptor; Isotope-Labeled Compounds; STAT
Related Pathways
GPCR/G Protein; JAK/STAT Signaling; Neuronal Signaling; Others; Stem Cell/Wnt
Field of Research
Cancer; Endocrinology; Inflammation/Immunology
Smiles
O=C1N(C2([2H])C([2H])([2H])CN(CC2([2H])[2H])CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C5=CC=CC=C5N1
Molecular Formula
C28H24D5F2N3O
Molecular Weight
466.58
References & Citations
[1]Ybema CE, et al. Adrenoceptors and dopamine receptors are not involved in the discriminative stimulus effect of the 5-HT1A receptor agonist flesinoxan. Eur J Pharmacol. 1994 Apr 21;256 (2) :141-7.|[2]Cai N, et al. The STAT3 inhibitor pimozide impedes cell proliferation and induces ROS generation in human osteosarcoma by suppressing catalase expression. Am J Transl Res. 2017 Aug 15;9 (8) :3853-3866. eCollection 2017.|[3]Erik A. Nelson, et al. The STAT5 inhibitor pimozide decreases survival of chronic myelogenous leukemia cells resistant to kinase inhibitors. Blood. 2011 Mar 24; 117 (12) : 3421-3429.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Pimozide-d5 (Major)
CAS Number1794979-08-0
PubChem CID71751669
IUPAC Name3-[1-[4,4-bis(4-fluorophenyl)butyl]-3,3,4,5,5-pentadeuteriopiperidin-4-yl]-1H-benzimidazol-2-one
Molecular FormulaC28H29F2N3O
Molecular Weight466.6
XLogP6.3
Topological Polar Surface Area35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity632
SMILES
[2H]C1(CN(CC(C1([2H])N2C3=CC=CC=C3NC2=O)([2H])[2H])CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)[2H]
InChI
InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)/i15D2,16D2,24D
InChIKey
YVUQSNJEYSNKRX-SQXKFXMRSA-N
Chemical Structure
2D Structure
2D structure of Pimozide-d5 (Major)
CAS: 1794979-08-0
CID: 71751669
Formula: C28H29F2N3O
MW: 466.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.6
XLogP36.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass466.25925261
Monoisotopic Mass466.25925261
Topological Polar Surface Area35.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity632
Isotope Atom Count5
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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