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· · COA & SDS available for every product · Same-day shipping on in-stock items Tanimilast , Phosphodiesterase 4 inhibitor, CAS No.1239278-59-1, Phosphodiesterase 4 inhibitor
Synonyms
CHF-6001 | Benzoic acid, 3-(cyclopropylmethoxy)-4-((methylsulfonyl)amino)-, (1S)-1-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-(3,5-dichloro-1-oxido-4-pyridinyl)ethyl ester | SCHEMBL12096092 | 0984EU6E2F | Q27236468 | CHF6001 | DB12800 | TANIMILA
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Why this grade 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
CHF-6001 | Benzoic acid, 3-(cyclopropylmethoxy)-4-((methylsulfonyl)amino)-, (1S)-1-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-(3, 5-dichloro-1-oxido-4-pyridinyl)ethyl ester | SCHEMBL12096092 | 0984EU6E2F | Q27236468 | CHF6001 | DB12800 | TANIMILA
Mechanism of action
Phosphodiesterase 4 inhibitor
Product Properties Names and Identifiers Canonical Smiles CS(=O)(=O)NC1=C(C=C(C=C1)C(=O)OC(CC2=C(C=[N+](C=C2Cl)[O-])Cl)C3=CC(=C(C=C3)OC(F)F)OCC4CC4)OCC5CC5 IUPAC Name [(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] 3-(cyclopropylmethoxy)-4-(methanesulfonamido)benzoate InChIKey VCFBPAOSTLMYIV-SANMLTNESA-N INCHI 1S/C30H30Cl2F2N2O8S/c1-45(39,40)35-24-8-6-20(11-27(24)41-15-17-2-3-17)29(37)43-26(12-21-22(31)13-36(38)14-23(21)32)19-7-9-25(44-30(33)34)28(10-19)42-16-18-4-5-18/h6-11,13-14,17-18,26,30,35H,2-5,12,15-16H2,1H3/t26-/m0/s1 Isomeric SMILES CS(=O)(=O)NC1=C(C=C(C=C1)C(=O)O[C@@H](CC2=C(C=[N+](C=C2Cl)[O-])Cl)C3=CC(=C(C=C3)OC(F)F)OCC4CC4)OCC5CC5 PubChem CID 70662473 Molecular Weight 687.5
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 Class Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Benzoic acid esters Alternative Parents Sulfanilides Benzyloxycarbonyls Polyhalopyridines Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Pyridinium derivatives Organosulfonamides Aryl chlorides Organic sulfonamides Aminosulfonyl compounds Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Organofluorides Alkyl fluorides Organonitrogen compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Benzoate ester - Benzyloxycarbonyl - Sulfanilide - Phenoxy compound - Benzoyl - Polyhalopyridine - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Pyridine - Pyridinium - Organic sulfonic acid amide - Organosulfonic acid amide - Heteroaromatic compound - Organosulfonic acid or derivatives - Sulfonyl - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organofluoride - Organochloride - Organohalogen compound - Organic salt - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. 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 687.500 g/mol XLogP3 5.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 11 Rotatable Bond Count 16 Exact Mass 686.107 Da Monoisotopic Mass 686.107 Da Topological Polar Surface Area 134.000 Ų Heavy Atom Count 45 Formal Charge 0 Complexity 1070.000 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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