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Cariprazine-d8

CAT: 0804-HY-14763S1-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-14763S1-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cariprazine-d8 is a deuterium labeled Cariprazine. Cariprazine is a novel antipsychotic agent candidate that exhibits high affinity for the D3 (Ki=0.085 nM) and D2 (Ki=0.49 nM) receptors, and moderate affinity for the 5-HT1A receptor (Ki=2.6 nM) .
CAS Number
1308278-50-3
Product Name Alternative
RGH-188 D8
UNSPSC
12352005
Target
5-HT Receptor; Dopamine Receptor; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
GPCR/G Protein; Neuronal Signaling; Others
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Purity
99.51
Solubility
10 mM in DMSO|DMSO : 2mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
ClC1=C(C=CC=C1Cl)N2C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C2([2H])[2H])CC[C@@H]3CC[C@H](CC3)NC(N(C)C)=O
Molecular Formula
C21H24D8Cl2N4O
Molecular Weight
435.46
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
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported
Isoform
5-HT1 Receptor; D3 Receptor

Chemical Information

Urea, N'-[trans-4-[2-[4-(2,3-dichlorophenyl)-1-piperazinyl-2,2,3,3,5,5,6,6-d8]ethyl]cyclohexyl]-N,N-dimethy
CAS Number1308278-50-3
PubChem CID76286959
IUPAC Name1,1-dimethyl-3-[4-[2-[2,2,3,3,5,5,6,6-octadeuterio-4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]urea
Molecular FormulaC21H32Cl2N4O
Molecular Weight435.5
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]C1(C(N(C(C(N1CCC2CCC(CC2)NC(=O)N(C)C)([2H])[2H])([2H])[2H])C3=C(C(=CC=C3)Cl)Cl)([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)/i12D2,13D2,14D2,15D2
InChIKey
KPWSJANDNDDRMB-DHNBGMNGSA-N
Chemical Structure
2D Structure
2D structure of Urea, N'-[trans-4-[2-[4-(2,3-dichlorophenyl)-1-piperazinyl-2,2,3,3,5,5,6,6-d8]ethyl]cyclohexyl]-N,N-dimethy
CAS: 1308278-50-3
CID: 76286959
Formula: C21H32Cl2N4O
MW: 435.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.5
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass434.2455310
Monoisotopic Mass434.2455310
Topological Polar Surface Area38.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity491
Isotope Atom Count8
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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Alternative Products

CatalogName
CS-T-94074Cariprazine-d8
CS-CX-00206Cariprazine-d8 (Piperazine-d8)
443973-01Cariprazine-d8 discontinued
CS-P-05489N-Desmethyl Cariprazine-d8
CS-P-05510N-Didesmethyl Cariprazine-d8
AR-C06298-01Cariprazine Impurity 3-d8
A3282-5.1Cariprazine

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