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KVA-D-88

CAT: 0804-HY-139178-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-139178-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KVA-D-88 is a blood-brain barrier-permeable PDE4 inhibitor with IC50 values of 140 and 880 nM for PDE4B and PDE4D, respectively. KVA-D-88 has the ability to inhibit cocaine-induced hyperlocomotor activity and sensitization. KVA-D-88 selectively inhibits PDE4B and reduces cAMP degradation, thereby modulating neuroadaptive responses. KVA-D-88 can be used in the study of cocaine addiction[1].
CAS Number
2410550-31-9
UNSPSC
12352005
Target
Phosphodiesterase (PDE)
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Purity
99.81
Solubility
DMSO : 20 mg/mL (ultrasonic)
Smiles
O=C(C1=CC2=CC=CN=C2N1C3=CC=C(Cl)C(Cl)=C3)N4CC(F)(F)C4
Molecular Formula
C17H11Cl2F2N3O
Molecular Weight
382.19
References & Citations
[1]Burkovetskaya ME, et al. KVA-D-88, a Novel Preferable Phosphodiesterase 4B Inhibitor, Decreases Cocaine-Mediated Reward Properties in Vivo. ACS Chem Neurosci. 2020 Aug 5;11 (15) :2231-2242.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PDE4

Chemical Information

[1-(3,4-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl](3,3-difluoro-1-azetidinyl)-methanone
CAS Number2410550-31-9
PubChem CID153563240
IUPAC Name[1-(3,4-dichlorophenyl)pyrrolo[2,3-b]pyridin-2-yl]-(3,3-difluoroazetidin-1-yl)methanone
Molecular FormulaC17H11Cl2F2N3O
Molecular Weight382.2
XLogP4.4
Topological Polar Surface Area38.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity530
SMILES
C1C(CN1C(=O)C2=CC3=C(N2C4=CC(=C(C=C4)Cl)Cl)N=CC=C3)(F)F
InChI
InChI=1S/C17H11Cl2F2N3O/c18-12-4-3-11(7-13(12)19)24-14(6-10-2-1-5-22-15(10)24)16(25)23-8-17(20,21)9-23/h1-7H,8-9H2
InChIKey
JQEUSIGJVMRCOL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [1-(3,4-dichlorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl](3,3-difluoro-1-azetidinyl)-methanone
CAS: 2410550-31-9
CID: 153563240
Formula: C17H11Cl2F2N3O
MW: 382.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.2
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass381.0247237
Monoisotopic Mass381.0247237
Topological Polar Surface Area38.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity530
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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