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ASP9436 Dihydrochloride

CAT: 0013-GTR19209091-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209091-01Size:25 mg
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Description
ASP9436 Dihydrochloride is a potent, selective, and orally bioavailable inhibitor of phosphodiesterase 10A (PDE10A) . This compound is a valuable research tool for investigating PDE10A function in preclinical models of neurological disorders, including schizophrenia and Huntington's disease, in both in vitro and in vivo studies.
CAS Number
1401807-89-3
Smiles
Cl.Cl.Cn1cc (c (COc2ccc (cc2) -c2cccc3n (C) cnc23) n1) -c1ccc (=O) n (C) c1
Molecular Formula
C25H25Cl2N5O2
Molecular Weight
498.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

ASP9436 Dihydrochloride
CAS Number1401807-89-3
PubChem CID154701592
IUPAC Name1-methyl-5-[1-methyl-3-[[4-(1-methylbenzimidazol-4-yl)phenoxy]methyl]pyrazol-4-yl]pyridin-2-one;dihydrochloride
Molecular FormulaC25H25Cl2N5O2
Molecular Weight498.4
Topological Polar Surface Area65.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity747
SMILES
CN1C=C(C=CC1=O)C2=CN(N=C2COC3=CC=C(C=C3)C4=C5C(=CC=C4)N(C=N5)C)C.Cl.Cl
InChI
InChI=1S/C25H23N5O2.2ClH/c1-28-13-18(9-12-24(28)31)21-14-30(3)27-22(21)15-32-19-10-7-17(8-11-19)20-5-4-6-23-25(20)26-16-29(23)2;;/h4-14,16H,15H2,1-3H3;2*1H
InChIKey
TXXSLKUDIZOGSL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ASP9436 Dihydrochloride
CAS: 1401807-89-3
CID: 154701592
Formula: C25H25Cl2N5O2
MW: 498.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass497.1385304
Monoisotopic Mass497.1385304
Topological Polar Surface Area65.2 Ų
Heavy Atom Count34
Formal Charge0
Complexity747
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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