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JH-II-127

CAT: 1410-M12597-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M12597-01Size:2 mg
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Description
A potent and selective inhibitor of both wild-type and G2019S mutant LRRK2 with IC50 of 6.6 and 2.2 nM, respectively.
CAS Number
1700693-08-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
416.8615
Molecular Formula
C19H21ClN6O3
Notes
Research use only, not for human use.
Receptor
LRRK2

Chemical Information

(4-((5-chloro-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-methoxyphenyl)(morpholino)methanone
CAS Number1700693-08-8
PubChem CID112499966
IUPAC Name[4-[[5-chloro-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
Molecular FormulaC19H21ClN6O3
Molecular Weight416.9
XLogP2.5
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity566
SMILES
CNC1=NC(=NC2=C1C(=CN2)Cl)NC3=C(C=C(C=C3)C(=O)N4CCOCC4)OC
InChI
InChI=1S/C19H21ClN6O3/c1-21-16-15-12(20)10-22-17(15)25-19(24-16)23-13-4-3-11(9-14(13)28-2)18(27)26-5-7-29-8-6-26/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24,25)
InChIKey
HUEKBQXFNHWTQQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-((5-chloro-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-methoxyphenyl)(morpholino)methanone
CAS: 1700693-08-8
CID: 112499966
Formula: C19H21ClN6O3
MW: 416.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.9
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass416.1363662
Monoisotopic Mass416.1363662
Topological Polar Surface Area104 Ų
Heavy Atom Count29
Formal Charge0
Complexity566
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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Alternative Products

CatalogName
BA3686-50JH-II-127
A15777-25JH-II-127 25mg
A15777-100JH-II-127 100mg
A15777-10JH-II-127 10mg
A15777-5JH-II-127 5mg
A15777-50JH-II-127 50mg
A15777-1JH-II-127 1mg
6289/10JH-II-127 10 mg

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