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· · COA & SDS すべての製品に適用 · 在庫品は当日出荷 dagrocorat - Moligand™ , Glucocorticoid receptor modulator, CAS No.1044535-52-5, Glucocorticoid receptor modulator
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
PF 0251802 | DB14676 | GTPL9650 | 1044535-52-5 | MS-29183 | US8901310, Example 1 | SCHEMBL1707468 | Dagrocorat [USAN:INN] | PF 00251802 | UNII-OPM23UN90U | D10617 | Q27285777 | (4bS,7R,8aR)-4b-benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-
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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 同義語
PF 0251802 | DB14676 | GTPL9650 | 1044535-52-5 | MS-29183 | US8901310, Example 1 | SCHEMBL1707468 | Dagrocorat [USAN:INN] | PF 00251802 | UNII-OPM23UN90U | D10617 | Q27285777 | (4bS,7R,8aR)-4b-benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-
アクションタイプ
AGONIST, MODULATOR
作用メカニズム
Glucocorticoid receptor modulator
製品の性質 名前と識別子 カノニカル・スマイル CC1=C(C=CC=N1)NC(=O)C2=CC3=C(C=C2)C4(CCC(CC4CC3)(C(F)(F)F)O)CC5=CC=CC=C5 IUPAC Name (4bS,7R,8aR)-4b-benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide InChIKey QJJBNCHSWFGXML-KEKPKEOLSA-N INCHI 1S/C29H29F3N2O2/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(36,29(30,31)32)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23,36H,9,11,13-14,17-18H2,1H3,(H,34,35)/t23-,27+,28-/m1/s1 異性体SMILES CC1=C(C=CC=N1)NC(=O)C2=CC3=C(C=C2)[C@@]4(CC[C@@](C[C@H]4CC3)(C(F)(F)F)O)CC5=CC=CC=C5 代替CAS番号 1044535-52-5 PubChem CID 24873449 MeSH用語 (4bS,7R,8aR)-4b,5,6,7,8,8a,9,10-octahydro-7-hydroxy-N-(2-methyl-3-pyridinyl)-4b-(phenylmethyl)-7-(trifluoromethyl)-2-phenanthrenecarboxamide hydrochloride (1:1);(4bS,7R,8aR)-4b-benzyl-7-hydroxy-n-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4b,5,6,7,8,8a,9, 分子量 494.5
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 分類 Phenanthrenes and derivatives Subclass Hydrophenanthrenes Intermediate Tree Nodes Not available Direct Parent Hydrophenanthrenes Alternative Parents Naphthalenecarboxamides Tetralins Methylpyridines Benzene and substituted derivatives Tertiary alcohols Heteroaromatic compounds Secondary carboxylic acid amides Cyclic alcohols and derivatives Fluorohydrins Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Alkyl fluorides Organonitrogen compounds Organofluorides Organic oxides Molecular Framework Aromatic heteropolycyclic compounds Substituents Hydrophenanthrene - 2-naphthalenecarboxamide - 2-naphthalenecarboxylic acid or derivatives - Tetralin - Methylpyridine - Monocyclic benzene moiety - Pyridine - Cyclic alcohol - Heteroaromatic compound - Tertiary alcohol - Carboxamide group - Fluorohydrin - Halohydrin - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound 説明 This compound belongs to the class of organic compounds known as hydrophenanthrenes. These are a phenanthrene derivative where at least one ring CC bond is substituted by hydrogenation. 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.
3 D構造 関連ターゲット（人間） 作用メカニズム 証明書（CoA、COO、BSE/TSEと分析図） 化学的性質と物理的性質 分子量 494.500 g/mol XLogP3 6.100 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 4 Exact Mass 494.218 Da Monoisotopic Mass 494.218 Da Topological Polar Surface Area 62.200 Ų Heavy Atom Count 36 Formal Charge 0 Complexity 785.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 3 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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