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PDE10-IN-6

CAT: 0804-HY-120684Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-120684Size:1 Each
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Description
PDE10-IN-6 is a phosphodiesterase-10 inhibitor that inhibits the breakdown of cAMP and cGMP, thereby slowing or halting their hydrolysis.
CAS Number
1207549-69-6
UNSPSC
12352005
Target
Others
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/pde10-in-6.html
Smiles
O=C(C(OC)C1=CC=C(C=C1)N2N=CC=C2)N/N=C/C3=CC(OC)=C(C(OC)=C3)Br
Molecular Formula
C21H21BrN4O4
Molecular Weight
473.32
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-[(E)-(4-bromo-3,5-dimethoxyphenyl)methylideneamino]-2-methoxy-2-(4-pyrazol-1-ylphenyl)acetamide
CAS Number1207549-69-6
PubChem CID59185923
IUPAC NameN-[(E)-(4-bromo-3,5-dimethoxyphenyl)methylideneamino]-2-methoxy-2-(4-pyrazol-1-ylphenyl)acetamide
Molecular FormulaC21H21BrN4O4
Molecular Weight473.3
XLogP3.4
Topological Polar Surface Area87
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity559
SMILES
COC1=CC(=CC(=C1Br)OC)/C=N/NC(=O)C(C2=CC=C(C=C2)N3C=CC=N3)OC
InChI
InChI=1S/C21H21BrN4O4/c1-28-17-11-14(12-18(29-2)19(17)22)13-23-25-21(27)20(30-3)15-5-7-16(8-6-15)26-10-4-9-24-26/h4-13,20H,1-3H3,(H,25,27)/b23-13+
InChIKey
YPIBFZQJCQFGFY-YDZHTSKRSA-N
Chemical Structure
2D Structure
2D structure of N-[(E)-(4-bromo-3,5-dimethoxyphenyl)methylideneamino]-2-methoxy-2-(4-pyrazol-1-ylphenyl)acetamide
CAS: 1207549-69-6
CID: 59185923
Formula: C21H21BrN4O4
MW: 473.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.3
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass472.07462
Monoisotopic Mass472.07462
Topological Polar Surface Area87 Ų
Heavy Atom Count30
Formal Charge0
Complexity559
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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