Enniatin B - Moligand™, ≥98% , CAS No.917-13-5

CAS: 917-13-5 Cat. No.: E329483 Formula: C₃₃H₅₇N₃O₉ Peso molecolare: 639.82 Numero EC: 695-639-0

QUALITÀ & PUREZZA Moligand™, ≥98%

Synonyms

HMS2269N19 | MEGxm0_000284 | CHEBI:64649 | (3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone | 2,8,14-Triaza-3,6,9,12,15,18-hexakis(methylethyl)-2,8,14-trimethyl-5,1

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Enniatin B is an ionophore antibiotic and fungal metabolite generated by multiple|Fusarium|strains. Studies indicate that Enniatin B has cytotoxic activity|in vitro|, but no genotoxic activity. Enniatin B has been shown to inhibit the Pdr5p ABC transporter in|Saccharomyces cerevisiae|, as well as acyl-CoA-cholesterol acyltransferase (ACAT). Additionally, joint studies of valinomycin and enniatin B have demonstrated that they can bind to calmodulin (CaM) and inhibit the activity of 3',5'-cyclic nucleotide phosphodiesterase (PDE). It is believed that enniatin B possess anticancer properties.

Specifiche

Sinonimi

HMS2269N19 | MEGxm0_000284 | CHEBI:64649 | (3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone | 2,8,14-Triaza-3,6,9,12,15,18-hexakis(methylethyl)-2,8,14-trimethyl-5,1

Specifiche e purezza

Moligand™, ≥98%

Condizioni di conservazione di stoccaggio

Protected from light,Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

CC(C)C1C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C

IUPAC Name

(3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

InChIKey

MIZMDSVSLSIMSC-VYLWARHZSA-N

INCHI

1S/C33H57N3O9/c1-16(2)22-31(40)43-26(20(9)10)29(38)35(14)24(18(5)6)33(42)45-27(21(11)12)30(39)36(15)23(17(3)4)32(41)44-25(19(7)8)28(37)34(22)13/h16-27H,1-15H3/t22-,23-,24-,25+,26+,27+/m0/s1

Isomeri SMILES

CC(C)[C@H]1C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C

WGK Germania

3

Peso molecolare

639.82

Reaxy-Rn

604574

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=604574&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Peptidomimetics
      • Subclass Depsipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Peptidomimetics
• Subclass: Depsipeptides
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclic depsipeptides
• Alternative Parents: Macrolide lactams Alpha amino acid esters Macrolides and analogues Macrolactams Tricarboxylic acids and derivatives Tertiary carboxylic acid amides Carboxylic acid esters Lactones Lactams Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Cyclic depsipeptide - Macrolide lactam - Alpha-amino acid ester - Macrolactam - Macrolide - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Lactone - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating.
• External Descriptors: enniatin

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.

DOI: 10.1186/s13321-016-0174-y

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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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EYA2 Tbio Eyes absent homolog 2 (5884 Activities)

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NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)

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GMNN Tbio Geminin (128009 Activities)

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RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

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microRNA 21 (64692 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in DMSO (10 mg/mL), ethanol (10 mg/mL), methanol (10 mg/mL), and water (partly).
• Sensibilità: Light sensitive;Moisture sensitive
• Indice di rifrazione: n20D1.46 (Predicted)
• Punto di ebollizione (°C): ~827.0° C at 760 mmHg (Predicted)
• Punto di fusione (°C): 175-175.3° C
• Peso molecolare: 639.800 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 639.409 Da
• Monoisotopic Mass: 639.409 Da
• Topological Polar Surface Area: 140.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 952.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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