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· · COA & SDS available for every product · Same-day shipping on in-stock items PF-04957325 - Moligand™ , Inhibitor of phosphodiesterase 8A, CAS No.1305115-80-3, Inhibitor of phosphodiesterase 8A
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.
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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 Specifications & Purity
Moligand™
Mechanism of action
Inhibitor of phosphodiesterase 8A
Names and Identifiers Canonical Smiles C1COC(CN1CC2=NC=CS2)CN3C4=NC(=NC(=C4N=N3)N)C(F)(F)F IUPAC Name 3-[[(2R)-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methyl]-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine InChIKey VNLPYEMGHGDRRZ-MRVPVSSYSA-N INCHI 1S/C14H15F3N8OS/c15-14(16,17)13-20-11(18)10-12(21-13)25(23-22-10)6-8-5-24(2-3-26-8)7-9-19-1-4-27-9/h1,4,8H,2-3,5-7H2,(H2,18,20,21)/t8-/m1/s1 Isomeric SMILES C1CO[C@H](CN1CC2=NC=CS2)CN3C4=NC(=NC(=C4N=N3)N)C(F)(F)F PubChem CID 52938379
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 Triazolopyrimidines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Triazolopyrimidines Alternative Parents Aminopyrimidines and derivatives Aralkylamines Imidolactams Morpholines Triazoles Thiazoles Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Alkyl fluorides Primary amines Organopnictogen compounds Hydrocarbon derivatives Organofluorides Molecular Framework Aromatic heteropolycyclic compounds Substituents Triazolopyrimidine - Aminopyrimidine - Aralkylamine - Morpholine - Oxazinane - Pyrimidine - Imidolactam - Heteroaromatic compound - Azole - 1,2,3-triazole - Triazole - Thiazole - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Dialkyl ether - Ether - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - Primary amine - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring 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) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 400.380 g/mol XLogP3 0.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 12 Rotatable Bond Count 4 Exact Mass 400.104 Da Monoisotopic Mass 400.104 Da Topological Polar Surface Area 136.000 Ų Heavy Atom Count 27 Formal Charge 0 Complexity 517.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 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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