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TAK-915

CAT: 0013-GTR19203049-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203049-01Size:25 mg
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Description
TAK-915 is a highly potent and selective brain-penetrant inhibitor of phosphodiesterase 2A (PDE2A), exhibiting an IC50 of 0.61 nM and over 4100-fold selectivity versus PDE1A. It is a valuable research tool for investigating PDE2A's role in neuropsychiatric and cognitive disorders in both in vitro and in vivo models.
CAS Number
1476727-50-0
Field of Research
Epigenetics & Chromatin, Metabolism Research
Smiles
COC[C@@H] (NC (=O) N1CC (=O) Nc2cc (OC) cnc12) c1ccc (OC (F) (F) F) c (F) c1
Molecular Formula
C19H18F4N4O5
Molecular Weight
458.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tak-915

a phosphodiesterase 2A inhibitor; structure in first source

CAS Number1476727-50-0
PubChem CID72190879
IUPAC NameN-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-7-methoxy-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
Molecular FormulaC19H18F4N4O5
Molecular Weight458.4
XLogP2
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity670
SMILES
COC[C@H](C1=CC(=C(C=C1)OC(F)(F)F)F)NC(=O)N2CC(=O)NC3=C2N=CC(=C3)OC
InChI
InChI=1S/C19H18F4N4O5/c1-30-9-14(10-3-4-15(12(20)5-10)32-19(21,22)23)26-18(29)27-8-16(28)25-13-6-11(31-2)7-24-17(13)27/h3-7,14H,8-9H2,1-2H3,(H,25,28)(H,26,29)/t14-/m1/s1
InChIKey
AWJSRXUQLSPAOI-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of Tak-915
CAS: 1476727-50-0
CID: 72190879
Formula: C19H18F4N4O5
MW: 458.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.4
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass458.12133234
Monoisotopic Mass458.12133234
Topological Polar Surface Area102 Ų
Heavy Atom Count32
Formal Charge0
Complexity670
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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