Plitidepsin - Moligand™, ≥98% , Elongation factor 1-alpha 2 inhibitor, CAS No.137219-37-5, Elongation factor 1-alpha 2 inhibitor

CAS: 137219-37-5 Cat. No.: P579422 分子式: C₅₇H₈₇N₇O₁₅ 分子量: 1110.34 PubChem CID: 9812534

GRADE & PURITY Moligand™, ≥98%

Synonyms

Aplidine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

Aplidine

仕様と純度

Moligand™, ≥98%

保管条件

Store at -20°C

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。

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

Elongation factor 1-alpha 2 inhibitor

純度

≥98%

製品の性質

• ALogP: 5.7

名前と識別子

• カノニカル・スマイル: CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)C(=O)C)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O
• IUPAC Name: (2S)-N-[(2R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-[(2S)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino
• InChIKey: UUSZLLQJYRSZIS-LXNNNBEUSA-N
• INCHI: 1S/C57H87N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35
• 異性体SMILES: CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)C(=O)C)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O
• PubChem CID: 9812534
• 分子量: 1110.34

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Peptidomimetics
• Subclass: Depsipeptides
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclic depsipeptides
• Alternative Parents: Leucine and derivatives Macrolide lactams Macrolactams N-acyl-alpha amino acids and derivatives Proline and derivatives Alpha amino acid esters Alpha amino acid amides Methoxybenzenes Pyrrolidinecarboxamides N-acylpyrrolidines Anisoles Phenoxy compounds Alkyl aryl ethers Alpha-acyloxy ketones N-acyl amines 1,3-dicarbonyl compounds Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Cyclic ketones Lactones Lactams Azacyclic compounds Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Cyclic depsipeptide - Macrolide lactam - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - Macrolactam - Proline or derivatives - Alpha-amino acid ester - Alpha-amino acid amide - Alpha-amino acid or derivatives - Anisole - Pyrrolidine-2-carboxamide - Methoxybenzene - Pyrrolidine carboxylic acid or derivatives - Phenol ether - Phenoxy compound - N-acylpyrrolidine - Alpha-acyloxy ketone - Alkyl aryl ether - N-acyl-amine - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Benzenoid - Fatty acyl - Fatty amide - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Pyrrolidine - Secondary carboxylic acid amide - Carboxamide group - Cyclic ketone - Carboxylic acid ester - Lactone - Lactam - Secondary alcohol - Ketone - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic nitrogen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
• 説明: 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: 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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Leukemia cell (223 Activities)

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関連ターゲット（非人間）

P388 (20296 Activities)

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作用メカニズム

化学的性質と物理的性質

• 分子量: 1110.300 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 15
• Exact Mass: 1109.63 Da
• Monoisotopic Mass: 1109.63 Da
• Topological Polar Surface Area: 285.000 Ų
• Heavy Atom Count: 79
• Formal Charge: 0
• Complexity: 2200.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 12
• 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