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(1R,2R) -Elpipodect

CAT: 0804-HY-153093ASize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-153093ASize:1 Each
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Description
(1R,2R) -Elpipodect ((1R,2R) -MK-8189) is the (1R,2R) enantiomer of Elpipodect. Elpipodect (MK-8189) is an orally active and selective PDE10A inhibitor with a Ki of 29 pM. Elpipodect can be used in research of schizophrenia[1].
CAS Number
1424378-99-3
Product Name Alternative
(1R,2R) -MK-8189
UNSPSC
12352100
Target
Phosphodiesterase (PDE)
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Neurological Disease
Smiles
CC(S1)=NN=C1CNC2=CC(OC[C@H]3[C@H](C4=CC=C(C=N4)C)C3)=NC(C)=N2
Molecular Formula
C19H22N6OS
Molecular Weight
382.48
References & Citations
[1]Layton ME, et, al. Discovery of MK-8189, a Highly Potent and Selective PDE10A Inhibitor for the Treatment of Schizophrenia. J Med Chem. 2023 Jan 26;66 (2) :1157-1171.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PDE10

Chemical Information

2-methyl-6-[[(1R,2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine
CAS Number1424378-99-3
PubChem CID71532422
IUPAC Name2-methyl-6-[[(1R,2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine
Molecular FormulaC19H22N6OS
Molecular Weight382.5
XLogP3.1
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity485
SMILES
CC1=CN=C(C=C1)[C@@H]2C[C@H]2COC3=NC(=NC(=C3)NCC4=NN=C(S4)C)C
InChI
InChI=1S/C19H22N6OS/c1-11-4-5-16(20-8-11)15-6-14(15)10-26-18-7-17(22-12(2)23-18)21-9-19-25-24-13(3)27-19/h4-5,7-8,14-15H,6,9-10H2,1-3H3,(H,21,22,23)/t14-,15+/m0/s1
InChIKey
WQKPZDLZRFTMTI-LSDHHAIUSA-N
Chemical Structure
2D Structure
2D structure of 2-methyl-6-[[(1R,2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-4-amine
CAS: 1424378-99-3
CID: 71532422
Formula: C19H22N6OS
MW: 382.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.5
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass382.15758052
Monoisotopic Mass382.15758052
Topological Polar Surface Area114 Ų
Heavy Atom Count27
Formal Charge0
Complexity485
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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