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· · COA & SDS すべての製品に適用 · 在庫品は当日出荷 SC-41930 - Moligand™ , Antagonist of BLT 1 receptor, CAS No.120072-59-5, Antagonist of BLT 1 receptor
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
SCHEMBL1889110 | Q27088744 | CGS 24115 | SC 41930 | 7-[3-(4-ACETYL-3-METHOXY-2-PROPYLPHENOXY)PROPOXY]-8-PROPYL-3,4-DIHYDRO-2H-1-BENZOPYRAN-2-CARBOXYLIC ACID | 7-[3-(4-Acetyl-3-methoxy-2-propyl-phenoxy)-propoxy]-8-propyl-chroman-2-carboxylic acid (SC41930)
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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
SCHEMBL1889110 | Q27088744 | CGS 24115 | SC 41930 | 7-[3-(4-ACETYL-3-METHOXY-2-PROPYLPHENOXY)PROPOXY]-8-PROPYL-3,4-DIHYDRO-2H-1-BENZOPYRAN-2-CARBOXYLIC ACID | 7-[3-(4-Acetyl-3-methoxy-2-propyl-phenoxy)-propoxy]-8-propyl-chroman-2-carboxylic acid (SC41930)
作用メカニズム
Antagonist of BLT 1 receptor
名前と識別子 カノニカル・スマイル
CCCc1c(OCCCOc2ccc(c(c2CCC)OC)C(=O)C)ccc2c1OC(CC2)C(=O)O
IUPAC Name
7-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]-8-propylchroman-2-carboxylic acid
InChIKey
ZVVCSBSDFGYRCB-UHFFFAOYSA-N
INCHI
1S/C28H36O7/c1-5-8-21-23(13-10-19-11-14-25(28(30)31)35-26(19)21)33-16-7-17-34-24-15-12-20(18(3)29)27(32-4)22(24)9-6-2/h10,12-13,15,25H,5-9,11,14,16-17H2,1-4H3,(H,30,31)
異性体SMILES
CCCC1=C(C=CC2=C1OC(CC2)C(=O)O)OCCCOC3=C(C(=C(C=C3)C(=O)C)OC)CCC
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 分類 Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents 1-benzopyrans Phenylpropanes Acetophenones Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Alkyl-phenylketone - Chromane - Benzopyran - 1-benzopyran - Acetophenone - Phenylpropane - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Aryl alkyl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound 説明 This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 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） 関連ターゲット（非人間） 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 484.600 g/mol XLogP3 6.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 13 Exact Mass 484.246 Da Monoisotopic Mass 484.246 Da Topological Polar Surface Area 91.300 Ų Heavy Atom Count 35 Formal Charge 0 Complexity 668.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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