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JJC8-088 (dioxalate)

CAT: 0804-HY-158013A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-158013A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
JJC8-088 dioxalate is the dioxalate salt form of JJC8-088. JJC8-088 dioxalate is a derivative of modafinil. JJC8-088 dioxalate is an inhibitor for dopamine transporter (DAT). JJC8-088 dioxalate exhibits behavioral characteristics similar to cocaine in rat models, and can be to study psychostimulant use disorders[1].
CAS Number
2068692-71-5
UNSPSC
12352005
Target
Dopamine Transporter
Type
Reference compound
Related Pathways
Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/jjc8-088-dioxalate.html
Purity
99.73
Solubility
DMSO : 33.33 mg/mL (ultrasonic;warming;heat to 60°C)
Smiles
O=S(C(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F)CCN3CCN(CC3)CC(CC4=CC=CC=C4)O.O=C(O)C(O)=O.O=C(O)C(O)=O
Molecular Formula
C32H36F2N2O10S
Molecular Weight
678.70
References & Citations
[1]Newman AH, et al., Translating the atypical dopamine uptake inhibitor hypothesis toward therapeutics for treatment of psychostimulant use disorders. Neuropsychopharmacology. 2019 Jul;44 (8) :1435-1444. |[2]Tunstall BJ, et al. Atypical dopamine transporter inhibitors attenuate compulsive-like methamphetamine self-administration in rats. Neuropharmacology. 2018 Mar 15;131:96-103.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

JJC8-088 dioxalate
CAS Number2068692-71-5
PubChem CID172009733
IUPAC Name1-[4-[2-[bis(4-fluorophenyl)methylsulfinyl]ethyl]piperazin-1-yl]-3-phenylpropan-2-ol;oxalic acid
Molecular FormulaC32H36F2N2O10S
Molecular Weight678.7
Topological Polar Surface Area212
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count12
Heavy Atom Count47
Formal Charge0
Complexity676
SMILES
C1CN(CCN1CCS(=O)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CC(CC4=CC=CC=C4)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O
InChI
InChI=1S/C28H32F2N2O2S.2C2H2O4/c29-25-10-6-23(7-11-25)28(24-8-12-26(30)13-9-24)35(34)19-18-31-14-16-32(17-15-31)21-27(33)20-22-4-2-1-3-5-22;2*3-1(4)2(5)6/h1-13,27-28,33H,14-21H2;2*(H,3,4)(H,5,6)
InChIKey
POGGYUGIKLMVHS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of JJC8-088 dioxalate
CAS: 2068692-71-5
CID: 172009733
Formula: C32H36F2N2O10S
MW: 678.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight678.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count12
Exact Mass678.20587285
Monoisotopic Mass678.20587285
Topological Polar Surface Area212 Ų
Heavy Atom Count47
Formal Charge0
Complexity676
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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