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· · COA & SDS すべての製品に適用 · 在庫品は当日出荷 アバスミブ - ≥98% , CAS No.166518-60-1
Synonyms
(6X,10S)-6-(6,10-Dihydroxyundecyl)-.beta.-resorcylic acid .mu.-lactone | AVASIMIBE [WHO-DD] | AVASIMIBE [INN] | CI1011 | CI-1011 | SB19572 | [2,6-di(propan-2-yl)phenyl] N-[2-[2,4,6-tri(propan-2-yl)phenyl]acetyl]sulamate | Avasimibe [USAN] | Avasimibe,CI-1
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping 20℃で保存 Ships アイスチェスト＋アイスパッド 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
概要 アバスチミブはACATをIC50で3.3μM阻害し、ヒトP450アイソザイムであるCYP2C9、CYP1A2、CYP2C19もそれぞれIC50で2.9μM、13.9μM、26.5μM阻害する。
Specifications 同義語
(6X,10S)-6-(6,10-Dihydroxyundecyl)-.beta.-resorcylic acid .mu.-lactone | AVASIMIBE [WHO-DD] | AVASIMIBE [INN] | CI1011 | CI-1011 | SB19572 | [2,6-di(propan-2-yl)phenyl] N-[2-[2,4,6-tri(propan-2-yl)phenyl]acetyl]sulamate | Avasimibe [USAN] | Avasimibe,CI-1
生化学的・生理学的メカニズム
ACAT阻害剤（IC50= 3.3 μM）。ラットにおいてコレステロールのエステル化を阻害し、血漿コレステロール値を低下させる。また、黒色腫マウスモデルでは腫瘍の成長を抑制し生存期間を延長し、膵臓癌モデルでは腫瘍の成長と転移を抑制する。
名前と識別子 カノニカル・スマイル
CC(C)C1=C(C(=CC=C1)C(C)C)OS(=O)(=O)NC(=O)CC2=C(C=C(C=C2C(C)C)C(C)C)C(C)C
IUPAC Name
[2,6-di(propan-2-yl)phenyl] N-[2-[2,4,6-tri(propan-2-yl)phenyl]acetyl]sulfamate
InChIKey
PTQXTEKSNBVPQJ-UHFFFAOYSA-N
INCHI
1S/C29H43NO4S/c1-17(2)22-14-25(20(7)8)27(26(15-22)21(9)10)16-28(31)30-35(32,33)34-29-23(18(3)4)12-11-13-24(29)19(5)6/h11-15,17-21H,16H2,1-10H3,(H,30,31)
異性体SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)OS(=O)(=O)NC(=O)CC2=C(C=C(C=C2C(C)C)C(C)C)C(C)C
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7608606&ln=
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 Lipids and lipid-like molecules 分類 Prenol lipids Subclass Monoterpenoids Intermediate Tree Nodes Not available Direct Parent Aromatic monoterpenoids Alternative Parents Phenylacetamides Monocyclic monoterpenoids Phenylpropanes Cumenes Phenoxy compounds Organic sulfuric acids and derivatives Carboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homomonocyclic compounds Substituents P-cymene - Aromatic monoterpenoid - Phenylacetamide - Monocyclic monoterpenoid - Cumene - Phenylpropane - Phenoxy compound - Monocyclic benzene moiety - Benzenoid - Organic sulfuric acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound 説明 This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. 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 溶解度 Solvent:DMSO, Max Conc. mg/mL: 50.17, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 10.03, Max Conc. mM: 20 分子量 501.700 g/mol XLogP3 8.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 10 Exact Mass 501.291 Da Monoisotopic Mass 501.291 Da Topological Polar Surface Area 80.900 Ų Heavy Atom Count 35 Formal Charge 0 Complexity 734.000 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 1
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