基本情報
- CAS
23526-02-5- 標準SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H](C(=O)O)[C@H](O)[C@H](OP(=O)(O)O)[C@H](O)C(=O)O)O[C@@H]2CO)[C@@H](O)[C@H]1O- InChIKey
OTLLEIBWKHEHGU-TUNUFRSWSA-N- 分子式
- C22H32N5O19P
- 平均分子量
- 701.5 g/mol
- 単同位体質量
- 701.14291081
概要
RN given refers to parent cpd
名称と識別子
- 優先名称
- Di Beta
- IUPAC
- (2R,3S,4S,5S)-2-[(2R,3R,4R,5S,6R)-5-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-4-phosphonooxyhexanedioic acid
- 現地名
- Β-エキソトキシン
- 英語名
- 2-[5-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]-3,4-di hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-4-phosphonooxy-he xanedioic acid
- 分子式
- C22H32N5O19P
- 分子量
- 701.49
名称と別名
ThuringiensinThuringiensin AThurintoxJBU770V87C23526-02-5Bacillus thuringiensis B toxinBacillus thuringiensis exotoxinbeta-Exotoxin (bacillus thuringiensis)NSC-1971772-[(2R,3R,4R,5S,6R)-5-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-4-phosphonooxyhexanedioic acidDTXSID4035706Di Beta
名称をさらに表示
Β-エキソトキシン(2R,3S,4S,5S)-2-{[(2R,3R,4R,5S,6R)-5-{[(2R,3S,4R,5R)-5-(6-アミノ-9H-プリン-9-イル)-3,4-ジヒドロキシオキソラン-2-イル]メトキシ}-3,4-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-3,5-ジヒドロキシ-4-(ホスホノオキシ)ヘキサン二酸ツリンギエンシン2-O-[4-O-(5′-アデノシル)-α-D-グルコピラノシル]-4-O-ホスホノ-D-アラル酸β-ExotoxinD-Allaric acid, O-5'-deoxyadenosin-5'-yl-(5'→4)-O-α-D-glucopyranosyl-(1→2)-, 4-(dihydrogen phosphate)2-[5-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]-3,4-di hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-4-phosphonooxy-he xanedioic acid
物性
構造計算による物性
- XLogP
- -7
- 極性表面積
- 390 Ų
- 水素結合供与体数
- 12
- 水素結合受容体数
- 23
- 回転可能結合数
- 14
- 重原子数
- 47
- 形式電荷
- 0
- 複雑度
- 1,140
実験および物理化学的性質
Chemical ClassesBiological Agents -> Bacterial Toxins
物理化学的性質
- 沸点
- 1263.8 · 1263.8±75.0 °C(Predicted)
- 比重(密度)
- 2.27 · 2.27±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 1.69 · 1.69±0.10(Predicted)
- EPAの化学物質情報
- Thuringiensin (23526-02-5)
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。
危険有害性情報
Hazards SummaryCauses stiffness, change in cardiac rate, and respiratory stimulation in inhalation lethal-concentration studies of rats; [RTECS]
毒性情報
Acute Toxicity LinkChemical: BACILLUS THURINGIENSIS
Toxicity DataLC50 (rat) = 300 mg/m3
安全データ
- 毒性
- sln-dmg-orl 1 pph HEREAY 85,113,77
化学と産業
用途と製造
Uses
Bacillus thuringiensis strains of bacteria produce delta-endotoxins that are used to control various types of insects; Some isolates also produce thuringiensin, a beta-exotoxin that has to be removed from insecticide production batches; [Reference #1]
Use ClassificationINSECTICIDES
応用分野
説明β-Exotoxin, the other toxin produced by B. thuringiensis, is being emphasized as an insecticide. β-Exotoxin is a nucleotide produced during the vegetative stage of bacterial growth. It is composed of adenine, ribose, glucose, and allaric acid with a phosphate group. β-Exotoxin is heat stable and is produced by subspecies thuringiensis, kenyae, morrisoni, tolworthi, and darmstadiensis. These subspecies produce different quantities of exotoxin, depending on the culture medium. Also, indications are that some subspecies produce more than one exotoxin. Commercial production of β-exotoxin is carried out under patent US 3758383.
使用2-[5-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]-3,4-di hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-4-phosphonooxy-he xanedioic acid is a thermostable metabolite produced by some strains of Bacillus thuringiensis. 2-[5-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]-3,4-di hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-4-phosphonooxy-he xanedioic acid can be used to screen and quantify indigenous thuringiensin-producing Bacillus thuringiensis isolates. β-Exotoxin can cause damage to the host by destroying cells or disrupting normal cellular metabolism.
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台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
BOC Sciences
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