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· · COA & SDS すべての製品に適用 · 在庫品は当日出荷 OTX008 - ≥98% , CAS No.286936-40-1
Synonyms
2,2',2'',2'''-[Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-5,11,17,23-tetrayltetrakis(oxy)]tetrakis[N-[2-(dimethylamino)ethyl]-acetamide | Calixarene 0118;PTX008 | HY-19756 | N-[2-(dimethylamino)et
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.
概要 Information
OTX008 OTX008 (Calixarene 0118, PTX008), a calixarene derivative, is a selective inhibitor of galectin-1 (Gal1) with anti-tumoural activity.
Targets
galectin-1
Specifications 同義語
2,2',2'',2'''-[Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-5,11,17,23-tetrayltetrakis(oxy)]tetrakis[N-[2-(dimethylamino)ethyl]-acetamide | Calixarene 0118;PTX008 | HY-19756 | N-[2-(dimethylamino)et
生化学的・生理学的メカニズム
OTX008 (Calixarene 0118, PTX008), a calixarene derivative, is a selective inhibitor of galectin-1 (Gal1) with anti-tumoural activity.
入荷
Ice chest + Ice pads
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
製品の性質 ALogP 4.626 hba_count 8 HBD数 4 回転可能な結合 24
名前と識別子 パブケム・シド 488197796 パブケム・シド・ウル https://pubchem.ncbi.nlm.nih.gov/substance/488197796 カノニカル・スマイル CN(C)CCNC(=O)COC1=C2CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=CC=CC(=C5OCC(=O)NCCN(C)C)CC1=CC=C2)OCC(=O)NCCN(C)C)OCC(=O)NCCN(C)C IUPAC Name N-[2-(dimethylamino)ethyl]-2-[[26,27,28-tris[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetamide InChIKey CQVAQQNDZCZBSU-UHFFFAOYSA-N INCHI 1S/C52H72N8O8/c1-57(2)25-21-53-45(61)33-65-49-37-13-9-14-38(49)30-40-16-11-18-42(51(40)67-35-47(63)55-23-27-59(5)6)32-44-20-12-19-43(52(44)68-36-48(64)56-24-28-60(7)8)31-41-17-10-15-39(29-37)50(41)66-34-46(62)54-22-26-58(3)4/h9-20H,21-36H2,1-8H3,(H,53,61)(H,54,62)(H,55,63)(H,56,64) 異性体SMILES CN(C)CCNC(=O)COC1=C2CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=CC=CC(=C5OCC(=O)NCCN(C)C)CC1=CC=C2)OCC(=O)NCCN(C)C)OCC(=O)NCCN(C)C 分子量 937.18 Reaxy-Rn 8752596 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8752596&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 Benzenoids 分類 Phenol ethers Subclass Not available Intermediate Tree Nodes Not available Direct Parent Phenol ethers Alternative Parents Alkyl aryl ethers Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homopolycyclic compounds Substituents Phenol ether - Alkyl aryl ether - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Aromatic homopolycyclic compound 説明 This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene 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 Solubility (25°C) In vitro Ethanol: 50 mg/mL (53.35 mM); DMSO: 3 mg/mL (3.2 mM); Water: Insoluble; DMSO（mg / mL） 最大溶解度 3 DMSO（mM） 最大溶解度 3.20109263962099 水（mg / mL） 最大溶解度 ＜1 分子量 937.200 g/mol XLogP3 5.100 Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 12 Rotatable Bond Count 24 Exact Mass 936.547 Da Monoisotopic Mass 936.547 Da Topological Polar Surface Area 166.000 Ų Heavy Atom Count 68 Formal Charge 0 Complexity 1250.000 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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