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· · COA & SDS available for every product · Same-day shipping on in-stock items TAK-779 - ≥98% , CAS No.229005-80-5
Synonyms
dimethyl-[[4-[[3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbonyl]amino]phenyl]methyl]-(oxan-4-yl)azanium;chloride | TAK 779; TAK779;Takeda 779;Takeda-779;Takeda779 | F84995 | CID 183789 | SCHEMBL48548 | 2H-PyraN,N-dimethyl-N-(4-(2-(p-tolyl)-6,
Shipped In
Ice chest + Ice pads
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Why this grade ≥98% 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.
Overview
TAK-779 is an antagonist of chemokine receptor 5 (CCR5), CCR2b, and CXC chemokine receptor 3 (CXCR3).
Specifications Synonyms
dimethyl-[[4-[[3-(4-methylphenyl)-8, 9-dihydro-7H-benzo[7]annulene-6-carbonyl]amino]phenyl]methyl]-(oxan-4-yl)azanium;chloride | TAK 779; TAK779;Takeda 779;Takeda-779;Takeda779 | F84995 | CID 183789 | SCHEMBL48548 | 2H-PyraN, N-dimethyl-N-(4-(2-(p-tolyl)-6,
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
TAK-779 (Takeda 779) is a potent and selective nonpeptide antagonist of CCR5 with Ki of 1.1 nM. TAK-779 is also a CXCR3 antagonist and an effective, selective inhibitor of\xa0R5 HIV-1 with\xa0EC50\xa0and\xa0EC90\xa0of 1.2 nM and 5.7 nM, respectively, in M
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CC1=CC=C(C=C1)C2=CC3=C(CCCC(=C3)C(=O)NC4=CC=C(C=C4)C[N+](C)(C)C5CCOCC5)C=C2.[Cl-] IUPAC Name dimethyl-[[4-[[3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbonyl]amino]phenyl]methyl]-(oxan-4-yl)azanium;chloride InChIKey VDALIBWXVQVFGZ-UHFFFAOYSA-N INCHI 1S/C33H38N2O2.ClH/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32;/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3;1H Isomeric SMILES CC1=CC=C(C=C1)C2=CC3=C(CCCC(=C3)C(=O)NC4=CC=C(C=C4)C[N+](C)(C)C5CCOCC5)C=C2.[Cl-] Alternate CAS 263765-56-6 PubChem CID 183789 Molecular Weight 531.10
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 Anilides Intermediate Tree Nodes Not available Direct Parent Anilides Alternative Parents Phenylmethylamines Benzylamines N-arylamides Toluenes Aralkylamines Oxanes Tetraalkylammonium salts Secondary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Organic chloride salts Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic zwitterions Organopnictogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Anilide - Benzylamine - Phenylmethylamine - N-arylamide - Toluene - Aralkylamine - Oxane - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxide - Amine - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic salt - Organic chloride salt - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution. 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 531.100 g/mol XLogP3 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 6 Exact Mass 530.27 Da Monoisotopic Mass 530.27 Da Topological Polar Surface Area 38.300 Ų Heavy Atom Count 38 Formal Charge 0 Complexity 769.000 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 2
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