基本情報
- CAS
835876-32-9- 標準SMILES
C[C@]12C[C@@]34C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]3[C@H](C[C@@H]1C4)O2- InChIKey
CSOMAHTTWTVBFL-OFBLZTNGSA-N- 分子式
- C24H27NO7
- 平均分子量
- 441.5 g/mol
- 単同位体質量
- 441.1787522
概要
Platensimycin is a monocarboxylic acid amide obtained by the formal condensation of the amino group of 3-amino-2,4-dihydroxybenzoic acid with the carboxy group of the oxatetracyclic cage component. It is an antibiotic isolated from Streptomyces platensis and exhibits inhibitory activity against fatty acid synthase. It has a role as an antimicrobial agent, an antibacterial agent, an EC 2.3.1.85 (fatty acid synthase) inhibitor and a bacterial metabolite. It is a dihydroxybenzoic acid, a monocarboxylic acid amide, a polycyclic cage, a cyclic ether, a cyclic ketone and an aromatic amide. It is a conjugate acid of a platensimycin(1-).
名称と識別子
- 優先名称
- Platensimycin
- IUPAC
- 3-[3-[(1S,5S,6R,7S,9S,10S)-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]propanoylamino]-2,4-dihydroxybenzoic acid
- 英語名
- PlatensiMycin
- 分子式
- C24H27NO7
- 分子量
- 441.474
名称と別名
PLATENSIMYCIN835876-32-9(-)-PlatensimycinQ3DQ78KOFY3-[3-[(1S,5S,6R,7S,9S,10S)-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]propanoylamino]-2,4-dihydroxybenzoic acidCHEBI:68236DTXSID80894888Benzoic acid, 3-((3-((1S,3S,4S,5aS,9S,9aR)-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-yl)-1-oxopropyl)amino)-2,4-dihydroxy-3-((3-((1S,3S,4S,5AS,9S,9AR)-1,4,5,8,9,9A-HEXAHYDRO-3,9-DIMETHYL-8-OXO-3H-1,4:3,5A-DIMETHANO-2-BENZOXEPIN-9-YL)-1-OXOPROPYL)AMINO)-2,4-DIHYDROXYBENZOIC ACID3-(3-((1S,5S,6R,7S,9S,10S)-5,9-dimethyl-4-oxo-8-oxatetracyclo(7.2.1.17,10.01,6)tridec-2-en-5-yl)propanoylamino)-2,4-dihydroxybenzoic acidRefChem:174784DTXCID201324447
名称をさらに表示
プラテンシマイシンlaminomycinPlatensimycin, Streptomyces sp.Platensimycin, Streptomyces sp. - CAS 835876-32-9 - CalbiochemBenzoic acid, 3-[[3-[(1S,3S,4S,5aS,9S,9aR)-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-yl]-1-oxopropyl]amino]-2,4-dihydroxy-
物性
構造計算による物性
- XLogP
- 2.3
- 極性表面積
- 133 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 7
- 回転可能結合数
- 5
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 888
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
Endocrine DisruptorsPotential endocrine disrupting compound
物理化学的性質
- 融点
- 220 · 220-222 °C(Solv: nitromethane (75-52-5))
- 沸点
- 683.1 · 683.1±55.0 °C(Predicted)
- 比重(密度)
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · -20°C
- 溶解性
- 1 mg/mL · DMSO：可溶1mg/mL 無色透明
- 外見
- 黄褐色の固体
- 酸解離定数(Pka)
- 2.14 · 2.14±0.13(Predicted)
- 色
- 白からベージュ
- InChIKey
- CSOMAHTTWTVBFL-OFBLZTNGSA-N
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
安全データ
- wgk
- WGK 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Compounds that interfere with FATTY ACID SYNTHASE resulting in a reduction of FATTY ACIDS. This is a target mechanism in humans of some ANTINEOPLASTIC AGENTS and ANTI-OBESITY AGENTS and of some ANTI-INFECTIVE AGENTS which interfere with CELL WALL and CELL MEMBRANE formation.
応用分野
使用Platensimycin is a novel, broad spectrum, Gram-positive antibiotic produced by strains of Streptomyces platensis. Its discovery was heralded by high profile publication and commentary in the scientific and lay press. Platensimycin was discovered by a target-based, whole-cell screening strategy using an antisense differential sensitivity assay, based on the inhibition of fatty acid synthesis. Platensimycin inhibits bacterial growth by selectively inhibiting the elongation enzyme, b-ketoacyl acyl carrier protein synthase (FabF) of the fatty acid synthesis pathway.
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