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Cariprazine-d6

CAT: 0804-HY-14763S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-14763S-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cariprazine-d6 is a deuterium labeled Cariprazine. Cariprazine Cariprazine is an antipsychotic agent that exhibits high affinity for the D3 (Ki of 0.085 nM) and D2 (Ki of 0.49 nM) receptors, and moderate affinity for the 5-HT1A receptor (Ki of 2.6 nM) [1].
CAS Number
1308278-67-2
Product Name Alternative
RGH-188-d6
UNSPSC
12352005
Hazard Statement
H302+H312+H332, H315, H319
Target
5-HT Receptor; Dopamine Receptor
Type
Isotope-Labeled Compounds
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Purity
98.74
Solubility
DMSO : 2mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(N[C@H]1CC[C@H](CCN2CCN(C3=CC=CC(Cl)=C3Cl)CC2)CC1)N(C([2H])([2H])[2H])C([2H])([2H])[2H]
Molecular Formula
C21H26D6Cl2N4O
Molecular Weight
433.45
Precautions
H302+H312+H332, H315, H319
References & Citations
[1] Seneca N, et al. Occupancy of dopamine D2 and D3 and serotonin 5-HT1A receptors by the novel antipsychotic drug candidate, cariprazine (RGH-188), in monkey brain measured using positron emission tomography. Psychopharmacology (Berl) . 2011 Dec;218 (3) :579-8
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported
Isoform
5-HT1 Receptor; mLAG-3

Chemical Information

Cariprazine-d6
CAS Number1308278-67-2
PubChem CID76287256
IUPAC Name3-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-bis(trideuteriomethyl)urea
Molecular FormulaC21H32Cl2N4O
Molecular Weight433.4
XLogP4.3
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity491
SMILES
[2H]C([2H])([2H])N(C(=O)NC1CCC(CC1)CCN2CCN(CC2)C3=C(C(=CC=C3)Cl)Cl)C([2H])([2H])[2H]
InChI
InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/i1D3,2D3
InChIKey
KPWSJANDNDDRMB-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of Cariprazine-d6
CAS: 1308278-67-2
CID: 76287256
Formula: C21H32Cl2N4O
MW: 433.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.4
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass432.2329775
Monoisotopic Mass432.2329775
Topological Polar Surface Area38.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity491
Isotope Atom Count6
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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CS-P-00819Cariprazine-d6
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CS-P-00819-10MGCariprazine-d6-AR Grade
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