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HG-10-102-01

CAT: 0607-B1262-5Size: 5 mgDry Ice: NoHazardous: No
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Description
LRRK2 inhibitor
CAS Number
1351758-81-0
Product Name Alternative
(E)-(4-((5-chloro-6-(methylimino)-1,6-dihydropyrimidin-2-yl)amino)-2-methoxyphenyl)(morpholino)methanone
Field of Research
Tyrosine Kinase LRRK2
Purity
0.9964
Form
A solid
Solubility
insoluble in H2O; ≥18.9 mg/mL in DMSO; ≥7.64 mg/mL in EtOH with ultrasonic
Smiles
C/N=C(N1)\C(Cl)=CN=C1NC2=CC(OC)=C(C(N3CCOCC3)=O)C=C2
Molecular Formula
C17H20ClN5O3
Molecular Weight
377.83
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

HG-10-102-01

HG-10-102-01 is a monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 4-{[5-chloro-4-(methylamino)pyrimidin-2-yl]amino}-3-methoxybenzoic acid with the amino group of morpholine. It is an inhibitor of leucine-rich repeat kinase 2 (LRRK2). It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is a monocarboxylic acid amide, an aromatic ether, an organochlorine compound, an aminopyrimidine, a member of morpholines and a secondary amino compound.

CAS Number1351758-81-0
PubChem CID58539301
IUPAC Name[4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
Molecular FormulaC17H20ClN5O3
Molecular Weight377.8
XLogP2.1
Topological Polar Surface Area88.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity466
SMILES
CNC1=NC(=NC=C1Cl)NC2=C(C=C(C=C2)C(=O)N3CCOCC3)OC
InChI
InChI=1S/C17H20ClN5O3/c1-19-15-12(18)10-20-17(22-15)21-13-4-3-11(9-14(13)25-2)16(24)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22)
InChIKey
YEVOZZZLKJKCCD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of HG-10-102-01
CAS: 1351758-81-0
CID: 58539301
Formula: C17H20ClN5O3
MW: 377.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.8
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass377.1254672
Monoisotopic Mass377.1254672
Topological Polar Surface Area88.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity466
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
M20640-01HG-10-102-01
A12919-200HG-10-102-01 200mg
A12919-50HG-10-102-01 50mg
A12919-2HG-10-102-01 2mg
A12919-100HG-10-102-01 100mg
A12919-25HG-10-102-01 25mg
A12919-10HG-10-102-01 10mg
A12919-5HG-10-102-01 5mg
bs-60061C-01HG-10-102-01 --- LRRK2 Inhibitor
A12919-10mM-DHG-10-102-01 10mM * 1mL in DMSO

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