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· · COA & SDS available for every product · Same-day shipping on in-stock items PF-06454589 - Moligand™ , Inhibitor of leucine rich repeat kinase 2, CAS No.P612739, 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. Synonyms
BDBM50059307 | compound 28 [PMID: 25353650] | 1527473-30-8 | HY-112855 | BCP30270 | PF-06454589 | Q27088323 | 4-(5-(1-methyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine | AC-35574 | AKOS040759238 | EX-A2017 | 5-(1-methyl-1H-pyrazol-4-yl)-4
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Why this grade Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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.
Specifications Synonyms
BDBM50059307 | compound 28 [PMID: 25353650] | 1527473-30-8 | HY-112855 | BCP30270 | PF-06454589 | Q27088323 | 4-(5-(1-methyl-1H-pyrazol-4-yl)-7H-pyrrolo[2, 3-d]pyrimidin-4-yl)morpholine | AC-35574 | AKOS040759238 | EX-A2017 | 5-(1-methyl-1H-pyrazol-4-yl)-4
Specifications & Purity
Moligand™
Mechanism of action
Inhibitor of leucine rich repeat kinase 2
Names and Identifiers Canonical Smiles Cn1ncc(c1)c1c[nH]c2c1c(ncn2)N1CCOCC1 IUPAC Name 4-[5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine InChIKey VNWKCLDQBNSJJO-UHFFFAOYSA-N INCHI 1S/C14H16N6O/c1-19-8-10(6-18-19)11-7-15-13-12(11)14(17-9-16-13)20-2-4-21-5-3-20/h6-9H,2-5H2,1H3,(H,15,16,17) Isomeric SMILES CN1C=C(C=N1)C2=CNC3=C2C(=NC=N3)N4CCOCC4 PubChem CID 72706837
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 Organoheterocyclic compounds Class Pyrrolopyrimidines Subclass Pyrrolo[2,3-d]pyrimidines Intermediate Tree Nodes Not available Direct Parent Pyrrolo[2,3-d]pyrimidines Alternative Parents Dialkylarylamines Aminopyrimidines and derivatives Substituted pyrroles Morpholines Imidolactams Pyrazoles Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Pyrrolo[2,3-d]pyrimidine - Dialkylarylamine - Aminopyrimidine - Morpholine - Oxazinane - Imidolactam - Substituted pyrrole - Pyrimidine - Azole - Heteroaromatic compound - Pyrazole - Pyrrole - Dialkyl ether - Ether - Oxacycle - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-positions. External Descriptors Not available 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.
3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 284.320 g/mol XLogP3 0.700 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 2 Exact Mass 284.139 Da Monoisotopic Mass 284.139 Da Topological Polar Surface Area 71.900 Ų Heavy Atom Count 21 Formal Charge 0 Complexity 363.000 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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