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MLi-2 25mg

CAT: 0628-A20530-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A20530-25Size:25 mg
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CAS Number
1627091-47-7

Chemical Information

MLi-2

MLI-2 is a member of the class of indazoles that is 1H-indazole that is substituted at position 3 by a 6-(cis-2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl group and at position 5 by a (1-methylcyclopropoxy)group. 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 an aromatic ether, a member of indazoles, a member of morpholines, a member of pyrimidines, a tertiary amino compound and a member of cyclopropanes.

CAS Number1627091-47-7
PubChem CID78319901
IUPAC Name(2R,6S)-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
Molecular FormulaC21H25N5O2
Molecular Weight379.5
XLogP3.2
Topological Polar Surface Area76.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity549
SMILES
C[C@@H]1CN(C[C@@H](O1)C)C2=NC=NC(=C2)C3=NNC4=C3C=C(C=C4)OC5(CC5)C
InChI
InChI=1S/C21H25N5O2/c1-13-10-26(11-14(2)27-13)19-9-18(22-12-23-19)20-16-8-15(28-21(3)6-7-21)4-5-17(16)24-25-20/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,24,25)/t13-,14+
InChIKey
ATUUNJCZCOMUKD-OKILXGFUSA-N
Chemical Structure
2D Structure
2D structure of MLi-2
CAS: 1627091-47-7
CID: 78319901
Formula: C21H25N5O2
MW: 379.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.5
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass379.20082506
Monoisotopic Mass379.20082506
Topological Polar Surface Area76.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity549
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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Alternative Products

CatalogName
00641-52N-Acetylneuraminic Acid, trimer (α,2→8), 25mg
DE993Tris (1,3-dichloro-2-propyl) phosphate-D15 - 25mg
QP11968-25mgRecombinant Human GHRP 2 Protein, Untagged, E.coli-25mg
QUEB02X20YYAEN 15662 Method PSA/GCB Clean-up tube: 150mgMgSO4 25mg PSA 2.5mg GCB
QUEB02X20YHAQuEChERS Extraction PouchEN 15662 Method PSA/GCB Clean-up tube: 150mgMgSO4 25mg PSA 2.5mg GCB2ml (1ml sample)
867030Multi Anion IC Standard Solution 7 Components (Fluorides (F-) 5mg/l ; Chlorides (Cl-) 10mg/l ; 2- - Nitrites (NO) 15mg/l ; Bromides (Br) 25mg/l ; 3- 3- Nitrates (NO) 25mg/L ; Phosphates (PO4) 40mg/l ; 2- Sulphates (SO4) 30mg/l in Water) Traceable to NIST
BA3683-5.1MLi-2

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