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· · COA & SDS available for every product · Same-day shipping on in-stock items E6201 - Moligand™ , Mitogen-activated protein kinase kinase kinase 1 inhibitor, CAS No.603987-35-5, Mitogen-activated protein kinase kinase kinase 1 inhibitor
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
DB11687 | (4S,5R,6Z,9S,10S,12E)-16-(ethylamino)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione | E 6201 | BDBM50515043 | (4~{S},5~{R},6~{Z},9~{S},10~{S},12~{E})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(ox
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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 Synonyms
DB11687 | (4S, 5R, 6Z, 9S, 10S, 12E)-16-(ethylamino)-9, 10, 18-trihydroxy-4, 5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14), 6, 12, 15, 17-pentaene-2, 8-dione | E 6201 | BDBM50515043 | (4~{S}, 5~{R}, 6~{Z}, 9~{S}, 10~{S}, 12~{E})-16-(ethylamino)-4, 5-dimethyl-9, 10, 18-tris(ox
Specifications & Purity
Moligand™
Mechanism of action
Mitogen-activated protein kinase kinase kinase 1 inhibitor
Product Properties Names and Identifiers Canonical Smiles CCNC1=CC2=C(C(=C1)O)C(=O)OC(C(C=CC(=O)C(C(CC=C2)O)O)C)C IUPAC Name (4S,5R,6Z,9S,10S,12E)-16-(ethylamino)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione InChIKey MWUFVYLAWAXDHQ-HMNLTAHHSA-N INCHI 1S/C21H27NO6/c1-4-22-15-10-14-6-5-7-16(23)20(26)17(24)9-8-12(2)13(3)28-21(27)19(14)18(25)11-15/h5-6,8-13,16,20,22-23,25-26H,4,7H2,1-3H3/b6-5+,9-8-/t12-,13+,16+,20+/m1/s1 Isomeric SMILES CCNC1=CC\2=C(C(=C1)O)C(=O)O[C@H]([C@@H](/C=C\C(=O)[C@H]([C@H](C/C=C2)O)O)C)C Molecular Weight 389.44 Reaxy-Rn 20616683 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20616683&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 Phenylpropanoids and polyketides Class Macrolides and analogues Subclass Not available Intermediate Tree Nodes Not available Direct Parent Macrolides and analogues Alternative Parents Secondary alkylarylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Secondary alcohols Lactones Cyclic ketones Carboxylic acid esters Amino acids and derivatives 1,2-diols Oxacyclic compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Macrolide - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Secondary aliphatic/aromatic amine - Benzenoid - Vinylogous acid - 1,2-diol - Amino acid or derivatives - Carboxylic acid ester - Ketone - Lactone - Cyclic ketone - Secondary alcohol - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Secondary amine - Polyol - Alcohol - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. 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 389.400 g/mol XLogP3 3.300 Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 2 Exact Mass 389.184 Da Monoisotopic Mass 389.184 Da Topological Polar Surface Area 116.000 Ų Heavy Atom Count 28 Formal Charge 0 Complexity 604.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 4 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 2 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 2 Covalently-Bonded Unit Count 1
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