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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items LRRK2-IN-1 - Moligand™, ≥98% , Inhibitor of leucine rich repeat kinase 2, CAS No.1234480-84-2, Inhibitor of leucine rich repeat kinase 2
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98% Synonyms
BRD-K01436366-001-01-6 | 2,6-Diamino-hexanoic acid; hydrochloride | BDBM50379529 | 2-((2-Methoxy-4-(4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl)phenyl)amino)-5,11-dimethyl-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one | 2-(2-methoxy-4-(4-(4-methy
Shipped In
Ice chest + Ice pads
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Why this grade Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Descripción general 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.
Specifications Sinónimos
BRD-K01436366-001-01-6 | 2, 6-Diamino-hexanoic acid; hydrochloride | BDBM50379529 | 2-((2-Methoxy-4-(4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl)phenyl)amino)-5, 11-dimethyl-5H-benzo[e]pyrimido[5, 4-b][1, 4]diazepin-6(11H)-one | 2-(2-methoxy-4-(4-(4-methy
Especificaciones y pureza
Moligand™, ≥98%
Mecanismos bioquímicos y fisiológicos
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
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Mecanismo de acción
Inhibitor of leucine rich repeat kinase 2
Nota
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.
Nombres e identificadores Pubchem Sid 504770808 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504770808 Sonrisas canónicas CN1CCN(CC1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)NC4=NC=C5C(=N4)N(C6=CC=CC=C6C(=O)N5C)C)OC 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 InChIKey IWMCPJZTADUIFX-UHFFFAOYSA-N 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) Isómeros 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 Peso molecular 570.7 Reaxy-Rn 20482020 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20482020&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Clase Benzene and substituted derivatives Subclass Benzoyl derivatives Intermediate Tree Nodes Not available Direct Parent 1-benzoylpiperidines Alternative Parents N-benzoylpiperidines Alkyldiarylamines 1,4-benzodiazepines Pyrimidodiazepines Benzamides Methoxyanilines Anisoles Phenoxy compounds Methoxybenzenes Aminopyrimidines and derivatives Aminopiperidines 1,4-diazepines Alkyl aryl ethers N-methylpiperazines Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Vinylogous amides Trialkylamines Amino acids and derivatives Lactams Secondary amines Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents N-benzoylpiperidine - 1-benzoylpiperidine - Alkyldiarylamine - Benzodiazepine - Pyrimidodiazepine - 1,4-benzodiazepine - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - Methoxyaniline - Anisole - Phenoxy compound - Aniline or substituted anilines - Phenol ether - Methoxybenzene - Para-diazepine - Alkyl aryl ether - Aminopyrimidine - 4-aminopiperidine - N-methylpiperazine - N-alkylpiperazine - Imidolactam - 1,4-diazinane - Pyrimidine - Piperidine - Piperazine - Vinylogous amide - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Lactam - Amino acid or derivatives - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Secondary amine - Organic oxide - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl group. External Descriptors tertiary amino compound - aromatic ether - N-acylpiperidine - secondary amino compound - aromatic amine - N-alkylpiperazine - pyrimidobenzodiazepine Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad DMSO Peso molecular 570.700 g/mol XLogP3 3.000 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 9 Rotatable Bond Count 5 Exact Mass 570.307 Da Monoisotopic Mass 570.307 Da Topological Polar Surface Area 97.400 Ų Heavy Atom Count 42 Formal Charge 0 Complexity 939.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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