基本情報
- CAS
116355-84-1- 標準SMILES
CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O- InChIKey
UXDPXZQHTDAXOZ-STOIETHLSA-N- 分子式
- C34H59NO14
- 平均分子量
- 705.8 g/mol
- 単同位体質量
- 705.39355556
概要
Fumonisin B2 is a fumonisin that is (2S,3S,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,14,15-triol in which the hydroxy groups at positions 14 and 15 have each been esterified by condensation with the 1-carboxy group of 3-carboxyglutaric acid (giving a 3-carboxyglutarate ester group with R configuration in each case). It has a role as a carcinogenic agent and an Aspergillus metabolite. It is a diol, a fumonisin, a primary amino compound and a diester.
名称と識別子
- 優先名称
- Fumonisin B2
- IUPAC
- (2R)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
- 現地名
- フモニシンB2標準液
- 英語名
- Fumonisin B2
- 分子式
- C34H59NO14
- 分子量
- 705.83
名称と別名
fumonisin b2116355-84-1fumonisin-B2UX4WHT4MKBCHEBI:38225DTXSID80891857(2R)-2-[2-[(5R,6R,7S,9S,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid1,2,3-Propanetricarboxylic acid, 1,1'-(1-(12-amino-9,11-dihydroxy-2-methyltridecyl)-2-(1-methylpentyl)-1,2-ethanediyl) ester1,2,3-Propanetricarboxylic acid, 1,1'-[(1S,2R)-1-[(2S,9R,11S,12S)-12-amino-9,11-dihydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl] ester, (2R,2'R)-(2R)-2-(2-((5R,6R,7S,9S,16R,18S,19S)-19-amino-6-((3R)-3,4-dicarboxybutanoyl)oxy-16,18-dihydroxy-5,9-dimethylicosan-7-yl)oxy-2-oxoethyl)butanedioic acidRefChem:141698DTXCID201031278
名称をさらに表示
フモニシンB2標準液フモニシンB2 50ΜG/MLフモニシンB2フモニシンB2標準液[50ΜG/MLアセトニトリル:水(1:1)溶液]フモニシン B2 溶液フモニシンB2 FUSARIUM MONILIFORME由来10-デオキシ-N2-デアセチルフモニシンA1(1S,2R,3R)-1-[(2S,9R,11S,12S)-12-アミノ-9,11-ジヒドロキシ-2-メチルトリデシル]-1,2-ビス[[(3R)-3,4-ジカルボキシブタノイル]オキシ]-3-メチルヘプタン
物性
構造計算による物性
- XLogP
- 1.2
- 極性表面積
- 268 Ų
- 水素結合供与体数
- 7
- 水素結合受容体数
- 15
- 回転可能結合数
- 31
- 重原子数
- 49
- 形式電荷
- 0
- 複雑度
- 1,040
実験および物理化学的性質
LipidsLipids -> Sphingolipids [SP] -> Sphingoid bases [SP01] -> Sphingoid base analogs [SP0108]
Collision Cross Section
258 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine]
259.85 Ų [M+H]+
物理化学的性質
- 融点
- 3200 · <3200(dec)
- 沸点
- 705.92 °C · 705.92°C (rough estimate)
- 比重(密度)
- 1.2044 · 1.2044 (rough estimate)
- 屈折率
- 1.663 · 1.6630 (estimate)
- 闪点
- 6 °C · 6 °C
- 貯蔵温度
- -20 °C · -20°C
- 溶解性
- DMSO（微量）、メタノール（微量）
- 外見
- オフホワイトの無地
- 酸解離定数(Pka)
- 3 · 3+-.0.23(Predicted)
- 色
- オフホワイトからベージュ
- 由来生物
- Fusarium sp. (Fusarium moniliforme)
- 安定性
- 吸湿性
- 主な用途
- 洗浄剤化粧品食品および飲料パーソナルケア
- InChIKey
- CFOIYOQEQJFMGC-UHFFFAOYSA-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。
GHS分類
GHS Classification
Danger
H300 (97.6%): Fatal if swallowed [Danger Acute toxicity, oral]
P203, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
1,2,3-Propanetricarboxylic acid, 1,1'-[(1S,2R)-1-[(2S,9R,11S,12S)-12-amino-9,11-dihydroxy-2-methyltridecyl]-2-[(1R)-1-methylpentyl]-1,2-ethanediyl] ester, (2R,2'R)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 1 (97.6%)
毒性情報
Treatment
There are no known antidotes to trichothecene mycotoxins. Treatments are directed at supporting hemopoietic abnormalities, gastrointestinal damage, and skin damage. Condiser activated charcoal if absorbed orally. Proceed with decontamination of the exposed region in case of eye or dermal contact. Administer oxygen and assist ventilation as required. Treat bronchospasm with inhaled beta2 agonist and oral or parenteral corticosteroids. (A704)
Health Effects
Fumonisins are hepatotoxic and nephrotoxic, causing increased apoptosis followed by regenerative cell proliferation. Leukopenia, sepsis, bone marrow suppression, hemosiderosis, and multiple hemorrhages have all been reported. Contact with skin and eyes can cause coagulation necrosis. Angina, tachycardia, and hypotension may occur. Animals studies have also shown disturbed sphingolipid metabolism and cardiovascular dysfunction. (A704, L1937)
化学と産業
薬理情報
MeSH Pharmacological ClassificationCarcinogenic substances that are found in the environment.
用途と製造
UsesFumonisin B2 is a fumonisin mycotoxin produced by the fungi Fusarium verticillioides and Fusarium moniliforme. Fumonisin B2 and other fumonisins frequently contaminate maize and other crops. (L1938)
Use ClassificationFood Contaminant -> MYCOTOXIN -> JECFA Functional Classes
応用分野
説明Fumonisin B2 belongs to the family of toxins known as fumonisins. It is produced by several species of Fusarium molds primarily by Fusarium verticillioide. It is one of the major mycotoxin contaminant in corn and corn-based foods. Fumonisin B2 is a structural analog of fumonisin B1 but it is more cytotoxic than the latter and it inhibits sphinganine-N-acetyltransferase (ceramide synthase).Fumonisin B2 is a carcinogenic mycotoxin generally present on corn based food and feed-stuff, which is produced by the fungus Fusarium verticillioides and Fusarium moniliforme. Fumonisin B2 can also be detected in the industrially important fungi, Aspergillus niger.
使用Fumonisin B2 is a minor analogue of a family of potent mycotoxins produced by various Fusarium species, associated with animal toxicity worldwide. To date much of the research on the pharmacology of the fumonisins has focused on fumonisin B1. It is generally accepted that fumonisin B2 acts on ceramide biosynthesis, however, the pharmacology of the minor analogues is less well explored.
一般的な説明Fumonisin B2 (FB2) is a diester of tricarballylic acid and polyhydric alcohols.. Fumonisins B2 (FB2) does not have one or more hydroxyl groups at the C5 or C10 positions.
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