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· · COA & SDS available for every product · Same-day shipping on in-stock items CC-90005 - Moligand™ , Inhibitor of protein kinase C delta;Inhibitor of protein kinase C theta, CAS No.C608350, Inhibitor of protein kinase C delta;Inhibitor of protein kinase C theta
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
BDBM50573044 | 5-Pyrimidinecarbonitrile, 2-(((4-(2,2-difluoropropoxy)-5-pyrimidinyl)methyl)amino)-4-(((1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl)amino)- | GTPL11659 | 2-(((4-(2,2-difluoropropoxy)pyrimidin-5-yl)methyl)amino)-4-(((1R,4S)-4-hydroxy-3,3-dimethy
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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
BDBM50573044 | 5-Pyrimidinecarbonitrile, 2-(((4-(2, 2-difluoropropoxy)-5-pyrimidinyl)methyl)amino)-4-(((1R, 4S)-4-hydroxy-3, 3-dimethylcyclohexyl)amino)- | GTPL11659 | 2-(((4-(2, 2-difluoropropoxy)pyrimidin-5-yl)methyl)amino)-4-(((1R, 4S)-4-hydroxy-3, 3-dimethy
Specifications & Purity
Moligand™
Mechanism of action
Inhibitor of protein kinase C delta;Inhibitor of protein kinase C theta
Names and Identifiers Canonical Smiles CC(F)(F)COc1c(CNc2nc(N[C@@H]3CC[C@H](O)C(C)(C)C3)c(cn2)C#N)cncn1 IUPAC Name 2-[[4-(2,2-difluoropropoxy)pyrimidin-5-yl]methylamino]-4-[[(1R,4S)-4-hydroxy-3,3-dimethylcyclohexyl]amino]pyrimidine-5-carbonitrile InChIKey FMKGJQHNYMWDFJ-CVEARBPZSA-N INCHI 1S/C21H27F2N7O2/c1-20(2)6-15(4-5-16(20)31)29-17-13(7-24)9-26-19(30-17)27-10-14-8-25-12-28-18(14)32-11-21(3,22)23/h8-9,12,15-16,31H,4-6,10-11H2,1-3H3,(H2,26,27,29,30)/t15-,16+/m1/s1 Isomeric SMILES CC1(C[C@@H](CC[C@@H]1O)NC2=NC(=NC=C2C#N)NCC3=CN=CN=C3OCC(C)(F)F)C PubChem CID 118162109
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 Organic oxygen compounds Class Organooxygen compounds Subclass Alcohols and polyols Intermediate Tree Nodes Secondary alcohols Direct Parent Cyclohexanols Alternative Parents Secondary alkylarylamines Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Imidolactams Heteroaromatic compounds Cyclic alcohols and derivatives Propargyl-type 1,3-dipolar organic compounds Nitriles Carboximidamides Azacyclic compounds Amidines Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic heteromonocyclic compounds Substituents Secondary aliphatic/aromatic amine - Cyclohexanol - Alkyl aryl ether - Imidolactam - Pyrimidine - Heteroaromatic compound - Cyclic alcohol - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Secondary amine - Nitrile - Carbonitrile - Ether - Amidine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring. 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) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 447.500 g/mol XLogP3 3.700 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 11 Rotatable Bond Count 8 Exact Mass 447.219 Da Monoisotopic Mass 447.219 Da Topological Polar Surface Area 129.000 Ų Heavy Atom Count 32 Formal Charge 0 Complexity 659.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 2 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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