ベンチュリシジンA - ≥95% , CAS No.33538-71-5

CAS: 33538-71-5 Cat. No.: V329490 分子式: C₄₁H₆₇NO₁₁ 分子量: 750.00 EC番号: 251-568-3

GRADE & PURITY Moligand™, ≥95%

Synonyms

AKOS040745412 | 46L30W9XBB | AA-0368 | Aabomycin A1 | Venturidicin A | SCHEMBL2219808 | DTXSID201317371 | [(2R,3R,4R,6R)-3-hydroxy-6-[[(1R,5S,6R,8R,9E,11R,15E,17R)-1-hydroxy-5-[(2R,4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-6,8,16,18-tetramethyl-3-

Storage

2～8℃で保存

Shipped In

濡れた氷

概要

抗生物質および抗真菌化合物であるヴェントゥリシジンAは、大腸菌|H|+|-ATPaseを阻害する可能性が指摘されている。実験によると、この化合物はATP駆動型のプロトン輸送とATP加水分解を強く阻害することが示唆された。より詳細な研究は、ベントゥリシジンAが膜セクターF|0|に作用することを示している。精製ウシのF|0|は、電圧感受性K|+|チャネルを引き起こすことが報告されている。ヴェントゥリシジンAはチャネルの開口確率を劇的に低下させる能力を示す。Venturicidin AはATP5の阻害剤である。

Specifications

同義語

AKOS040745412 | 46L30W9XBB | AA-0368 | Aabomycin A1 | Venturidicin A | SCHEMBL2219808 | DTXSID201317371 | [(2R,3R,4R,6R)-3-hydroxy-6-[[(1R,5S,6R,8R,9E,11R,15E,17R)-1-hydroxy-5-[(2R,4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-6,8,16,18-tetramethyl-3-

仕様と純度

Moligand™, ≥95%

ソース

Streptomycessp.

保管条件

2～8℃で保存

入荷

濡れた氷

等級

Moligand™

アクションタイプ

INHIBITOR

純度

≥95%

名前と識別子

カノニカル・スマイル

CCC(=O)C(C)C(C(C)CC(C)C1C(CC(C=CC(CCCC=C(C2C(=CCC(O2)(CC(=O)O1)O)C)C)OC3CC(C(C(O3)C)O)OC(=O)N)C)C)O

IUPAC Name

[(2R,3R,4R,6R)-3-hydroxy-6-[[(1R,5S,6R,8R,9E,11R,15E,17R)-1-hydroxy-5-[(2R,4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-6,8,16,18-tetramethyl-3-oxo-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-11-yl]oxy]-2-methyloxan-4-yl] carbamate

InChIKey

HHQKNFDAEDTRJK-LIOWZGMGSA-N

INCHI

1S/C41H67NO11/c1-10-32(43)29(8)36(45)26(5)20-28(7)38-27(6)19-23(2)15-16-31(50-35-21-33(51-40(42)47)37(46)30(9)49-35)14-12-11-13-24(3)39-25(4)17-18-41(48,53-39)22-34(44)52-38/h13,15-17,23,26-31,33,35-39,45-46,48H,10-12,14,18-22H2,1-9H3,(H2,42,47)/b16-15+,24-13+/t23-,26+,27+,28+,29+,30+,31+,33+,35-,36-,37+,38-,39+,41+/m0/s1

異性体SMILES

CCC(=O)[C@@H](C)[C@H]([C@H](C)C[C@@H](C)[C@@H]1[C@@H](C[C@H](/C=C/[C@@H](CCC/C=C(/[C@@H]2C(=CC[C@@](O2)(CC(=O)O1)O)C)\C)O[C@H]3C[C@H]([C@@H]([C@H](O3)C)O)OC(=O)N)C)C)O

RTECS

YX4556000

分子量

750.00

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Prenol lipids
      • Subclass Terpene lactones

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Prenol lipids
• Subclass: Terpene lactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Diterpene lactones
• Alternative Parents: Diterpenoids Macrolides and analogues Hexoses O-glycosyl compounds Oxanes Pyrans Beta-hydroxy ketones Carbamate esters Carboxylic acid esters Secondary alcohols Hemiacetals Lactones Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Aldehydes Hydrocarbon derivatives Organonitrogen compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Diterpene lactone - Diterpenoid - Macrolide - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Beta-hydroxy ketone - Monosaccharide - Oxane - Pyran - Carbamic acid ester - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Hemiacetal - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Organooxygen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Aldehyde - Alcohol - Aliphatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.
• 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.

DOI: 10.1186/s13321-016-0174-y

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FLT3 Tclin Tyrosine-protein kinase receptor FLT3 (13481 Activities)

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K562 (73714 Activities)

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MDA-MB-468 (9477 Activities)

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MV4-11 (7307 Activities)

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関連ターゲット（非人間）

B16 (5829 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in ethanol, methanol, DMF, DMSO, and water (poor).
• 屈折率: n20D1.54 (Predicted)
• 沸点（°C）: 874.86° C at 760 mmHg (Predicted)
• 分子量: 750.000 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 11
• Exact Mass: 749.471 Da
• Monoisotopic Mass: 749.471 Da
• Topological Polar Surface Area: 184.000 Ų
• Heavy Atom Count: 53
• Formal Charge: 0
• Complexity: 1310.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 14
• 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