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LRRK2-IN-1 - 98%, high purity , CAS No.1234480-84-2, Inhibitor of leucine rich repeat kinase 2

Moligand™
≥98%

CAS#: 1234480-84-2
Formula: C₃₁H₃₈N₈O₃
Molecular Weight: 570.7
PubChem CID: 46843906

Item Number

L125224

Grouped product items
SKU	Size	Availability	Price
L125224-5mg	5mg	In stock	$71.90
L125224-10mg	10mg	In stock	$118.90
L125224-25mg	25mg	In stock	$267.90
L125224-50mg	50mg	In stock	$434.90
L125224-100mg	100mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$761.90

Potent and selective inhibitor of the Parkinson’s disease kinase LRRK2

View related series

leucine rich repeat kinase 2 Inhibitor

Basic Description

Synonyms	LRRK2-IN-1\|1234480-84-2\|LRRK2IN1\|LRRK2-IN1\|2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one\|2-((2-Methoxy-4-(4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl)phenyl)amino)-5,11-di
Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	LRRK2-IN-1 is a cell-permeable, ATP competitive, potent, and selective LRRK2 inhibitor. (IC50 of 13 nM, 6 nM, and 2.45 μM for wild type, G2019S mutant, and drug resistant A2016T mutant LRRK2, respectively, in an in vitro ATP-site competititon binding a
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of leucine rich repeat kinase 2
Note	Refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description	product description： LRRK2-IN-1 is a potent and selective LRRK2 inhibitor with IC50 of 6 nM and 13 nM for LRRK2 (G2019S) and LRRK2 (WT), respectively.

Associated Targets

BRD4 Tchem Bromodomain-containing protein 4 0 Activities

Discover Target: BRD4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HDAC6 Tclin Histone deacetylase 6 0 Activities

Discover Target: HDAC6

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PLK1 Tchem Serine/threonine-protein kinase PLK1 0 Activities

Discover Target: PLK1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

LRRK2 Tchem Leucine-rich repeat serine/threonine-protein kinase 2 14 Activities

Discover Target: LRRK2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

BRDT Tchem Bromodomain testis-specific protein 0 Activities

Discover Target: BRDT

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

IUPAC Name	2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one
INCHI	InChI=1S/C31H38N8O3/c1-35-15-17-38(18-16-35)22-11-13-39(14-12-22)29(40)21-9-10-24(27(19-21)42-4)33-31-32-20-26-28(34-31)36(2)25-8-6-5-7-23(25)30(41)37(26)3/h5-10,19-20,22H,11-18H2,1-4H3,(H,32,33,34)
InChi Key	IWMCPJZTADUIFX-UHFFFAOYSA-N
Canonical SMILES	CN1CCN(CC1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4=NC=C5C(=N4)N(C6=CC=CC=C6C(=O)N5C)C)OC
Isomeric SMILES	CN1CCN(CC1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4=NC=C5C(=N4)N(C6=CC=CC=C6C(=O)N5C)C)OC
PubChem CID	46843906
Molecular Weight	570.7

ChEMBL Ligand

PubChem CID

CAS Registry No.

BindingDB Ligand

RCSB PDB Ligand

Certificates

Certificate of Analysis(COA)

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5 results found

Lot Number	Certificate Type	Date	Item
J2128245	Certificate of Analysis	Aug 01, 2023	L125224
J2128246	Certificate of Analysis	Aug 01, 2023	L125224
J2128247	Certificate of Analysis	Aug 01, 2023	L125224
J2129074	Certificate of Analysis	Aug 01, 2023	L125224
J2129078	Certificate of Analysis	Aug 01, 2023	L125224

References

1. Deng X, Dzamko N, Prescott A, Davies P, Liu Q, Yang Q, Lee JD, Patricelli MP, Nomanbhoy TK, Alessi DR et al.. (2011) Characterization of a selective inhibitor of the Parkinson's disease kinase LRRK2.. Nat Chem Biol, 7 (4): (203-5). [PMID:21378983]
2. Kavanagh ME, Doddareddy MR, Kassiou M. (2013) The development of CNS-active LRRK2 inhibitors using property-directed optimisation.. Bioorg Med Chem Lett, 23 (13): (3690-6). [PMID:23721803]

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