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LRRK2-IN-20

CAT: 0804-HY-175651Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-175651Size:1 Each
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Description
LRRK2-IN-20 (EX. 4.64) is a LRRK2 inhibitor with a pIC50 of 0.7921 nM. LRRK2-IN-20 can be used in Parkinson's disease (PD) research[1].
CAS Number
2763594-19-8
UNSPSC
12352100
Target
LRRK2
Related Pathways
Autophagy
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Smiles
ClC1=C(N2CCN(C3(COC3)C)CC2)C=C4N=C(NC5=CN(CC(C)(C)C)N=C5)N=CC4=C1
Molecular Formula
C24H32ClN7O
Molecular Weight
470.01
References & Citations
[1]John J. Acton J, et al. 2-aminoquinazolines as lrrk2 inhibitors, pharmaceutical compositions, and uses thereof. WO2022051337A1.2022-03-10.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

US20230303540, Example Ex-4.64
CAS Number2763594-19-8
PubChem CID162748057
IUPAC Name6-chloro-N-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-7-[4-(3-methyloxetan-3-yl)piperazin-1-yl]quinazolin-2-amine
Molecular FormulaC24H32ClN7O
Molecular Weight470.0
XLogP3.8
Topological Polar Surface Area71.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity664
SMILES
CC1(COC1)N2CCN(CC2)C3=C(C=C4C=NC(=NC4=C3)NC5=CN(N=C5)CC(C)(C)C)Cl
InChI
InChI=1S/C24H32ClN7O/c1-23(2,3)14-32-13-18(12-27-32)28-22-26-11-17-9-19(25)21(10-20(17)29-22)30-5-7-31(8-6-30)24(4)15-33-16-24/h9-13H,5-8,14-16H2,1-4H3,(H,26,28,29)
InChIKey
NNPRKXVIAUCPMU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of US20230303540, Example Ex-4.64
CAS: 2763594-19-8
CID: 162748057
Formula: C24H32ClN7O
MW: 470.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.0
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass469.2356864
Monoisotopic Mass469.2356864
Topological Polar Surface Area71.3 Ų
Heavy Atom Count33
Formal Charge0
Complexity664
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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