N-[[(3R)-1-オキソ-3-メチル-5-クロロ-8-ヒドロキシ-3,4-ジヒドロ-1H-2-ベンゾピラン-7-イル]カルボニル]-L-フェニルアラニン化学構造式

N-[[(3R)-1-オキソ-3-メチル-5-クロロ-8-ヒドロキシ-3,4-ジヒドロ-1H-2-ベンゾピラン-7-イル]カルボニル]-L-フェニルアラニン

化学名:N-[[(3R)-1-オキソ-3-メチル-5-クロロ-8-ヒドロキシ-3,4-ジヒドロ-1H-2-ベンゾピラン-7-イル]カルボニル]-L-フェニルアラニン

CAS番号.303-47-9

英語名:OCHRATOXIN A

CBNumberCB5325836

MFC20H18ClNO6

MW403.81

MOL File303-47-9.mol

别名

N-[[(3R)-1-オキソ-3-メチル-5-クロロ-8-ヒドロキシ-3,4-ジヒドロ-1H-2-ベンゾピラン-7-イル]カルボニル]-L-フェニルアラニン

N-[[(R)-5-クロロ-3,4-ジヒドロ-8-ヒドロキシ-3α-メチル-1-オキソ-1H-2-ベンゾピラン]-7-イルカルボニル]-L-Phe-OH

N-[[(R)-5-クロロ-3,4-ジヒドロ-8-ヒドロキシ-3-メチル-1-オキソ-1H-2-ベンゾピラン-7-イル]カルボニル]-L-フェニルアラニン

N-[[(3R)-1-オキソ-3-メチル-5-クロロ-8-ヒドロキシ-3,4-ジヒドロ-1H-2-ベンゾピラン-7-イル]カルボニル]-L-フェニルアラニン物理性質

融点	169°C
比旋光度	D -118° (c = 1.1 in CHCl3)
沸点	632.4±55.0 °C(Predicted)
比重(密度)	1.2459 (rough estimate)
屈折率	1.6000 (estimate)
闪点	2 °C
貯蔵温度	2-8°C
溶解性	エタノール：可溶
外見	粉
酸解離定数(Pka)	3.29±0.10(Predicted)
色	ホワイトからオフホワイト
由来生物	Aspergillus ochraceus
Merck	13,6772
BRN	8169012
IARC	2B (Vol. Sup 7, 56) 1993
EPAの化学物質情報	Ochratoxin A (303-47-9)

安全性情報

主な危険性	T+,T,Xn,F
Rフレーズ	45-46-61-26/27/28-36-20/21/22-11-40-28-39/23/24/25-23/24/25-65-48/23/24/25-36/38
Sフレーズ	53-22-36/37/39-45-36-26-16-36/37-28-62
RIDADR	UN 3462 6.1/PG 2
WGK Germany	3
RTECS 番号	AY4375000
F	10
国連危険物分類	6.1(a)
容器等級	I
HSコード	29322985
有毒物質データの	303-47-9(Hazardous Substances Data)
毒性	LD50 orally in rats: 20-22 mg/kg (Purchase, Theron)
消防法	危-4-1-S-II
安衛法	57-2
PRTR法	1-13
毒劇物取締法	II

危険有害性情報のコード(GHS)

N-[[(3R)-1-オキソ-3-メチル-5-クロロ-8-ヒドロキシ-3,4-ジヒドロ-1H-2-ベンゾピラン-7-イル]カルボニル]-L-フェニルアラニン化学特性,用途語,生産方法

外観
白色～わずかにうすい褐色, 結晶性粉末～粉末
溶解性
メタノールに溶ける。
用途
カビ毒の定量、研究用。
化学的特性
white to off-white crystalline powder
使用
Ochratoxin A is a chlorinated benzopyran coupled to phenylalanine, produced by several Aspergillus and Penicillium sp. associated with food spoilage. Ochratoxins are widely distributed in the environment and are known to be nephrotoxic, teratogenic and possibly carcinogenic. Ochratoxin A may act by inducing DNA strand breaks, sister chromatid exchanges, DNA adduct formation, or reactive oxygen but the mechanism of action as a toxin is not yet resolved. At the molecular level, ochratoxin A specifically inhibits NK cell activity, increases growth of transplantable tumour cells in mice, increases apoptosis, activates c-Jun N terminal kinase in human kidney epithelial cells, and blocks metaphase/anaphase transition. It also inhibits plasminogen activator inhibitor-2 production by human blood mononuclear cells.
定義
ChEBI: A phenylalanine derivative resulting from the formal condensation of the amino group of L-phenylalanine with the carboxy group of (3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carb xylic acid. It is among the most widely occurring food-contaminating mycotoxins, produced by Aspergillus ochraceus, Aspergillus carbonarius and Penicillium verrucosum.
一般的な説明
White crystalline powder.
空気と水の反応
Insoluble in water.
反応プロフィール
OCHRATOXIN A is incompatible with strong oxidizing agents, strong acids and strong bases. . OCHRATOXIN A is a carboxylic acid derivative. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt.
危険性
Hepatotoxic, nephrotoxic, extremely toxic; possible carcinogen.
火災危険
Flash point data for OCHRATOXIN A are not available; however, OCHRATOXIN A is probably combustible.
生物活性
Mycotoxin that increases activity of the endoplasmic reticulum ATP-dependent calcium pump. Induces JNK activation and apoptosis in MDCK-C7 cells at nanomolar concentrations. Stimulates lipid peroxidation.
安全性プロファイル
Confirmed carcinogen with carcinogenic and neoplastigenic data. Poison by ingestion, intraperitoneal, intravenous, and subcutaneous routes. Experimental teratogenic and reproductive effects. Mutation data reported. When heated to decomposition it emits very toxic fumes of Cland NOx.
職業ばく露
Ochratoxin A, a carboxylic acid derivative and a naturally occurring toxic mold (strain of Aspergillus ochraceus), occasionally in storage grains such as wheat and on field crops such as corn and oilseed (i.e., cottonseed), in ancient tombs, and decayed vegetation. Used as a laboratory chemical for research. Not currently produced in the United States.
発がん性
Ochratoxin A is reasonably anticipated to be a human carcinogen based on sufficient evidence of carcinogenicity from studies in experimental animals.
輸送方法
UN2811 Toxic solids, organic, n.o.s., Hazard Class: 6.1; Labels: 6.1-Poisonous materials, Technical Name Required. UN3462 Toxins, extracted from living sources, solid, n.o.s., Hazard Class: 6.1; Labels: 6.1-Poisonous materials, Technical Name Required.
不和合性
Ochratoxin A is Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fire. Keep away from alkaline materials, strong bases, strong acids, oxoacids, and epoxides. Compounds of the carboxyl group R.COOH Compounds of the carboxyl group react with all bases, both inorganic and organic (i.e.,amines) releasing substantial heat, water, and a salt that may be harmful. Incompatible with arsenic compounds (releases hydrogen cyanide gas), diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides (releasing heat, toxic, and possibly flammable gases), thiosulfates and dithionites (releasing hydrogen sulfate and oxides of sulfur).
廃棄物の処理
Consult with environmental regulatory agencies for guidance on acceptable disposal practices. Generators of waste containing this contaminant (≥100 kg/mo) must conform with EPA regulations governing storage, transportation, treatment, and waste disposal. Under 40 CFR 261.5 small quantity generators of this waste may qualify for partial exclusion from hazardous waste regulations.

N-[[(3R)-1-オキソ-3-メチル-5-クロロ-8-ヒドロキシ-3,4-ジヒドロ-1H-2-ベンゾピラン-7-イル]カルボニル]-L-フェニルアラニン上流と下流の製品情報

303-47-9, N-[[(3R)-1-オキソ-3-メチル-5-クロロ-8-ヒドロキシ-3,4-ジヒドロ-1H-2-ベンゾピラン-7-イル]カルボニル]-L-フェニルアラニンキーワード

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N-[[(3R)-1-オキソ-3-メチル-5-クロロ-8-ヒドロキシ-3,4-ジヒドロ-1H-2-ベンゾピラン-7-イル]カルボニル]-L-フェニルアラニン

危険有害性情報のコード(GHS)

N-[[(3R)-1-オキソ-3-メチル-5-クロロ-8-ヒドロキシ-3,4-ジヒドロ-1H-2-ベンゾピラン-7-イル]カルボニル]-L-フェニルアラニン 化学特性,用途語,生産方法

N-[[(3R)-1-オキソ-3-メチル-5-クロロ-8-ヒドロキシ-3,4-ジヒドロ-1H-2-ベンゾピラン-7-イル]カルボニル]-L-フェニルアラニン 上流と下流の製品情報

303-47-9, N-[[(3R)-1-オキソ-3-メチル-5-クロロ-8-ヒドロキシ-3,4-ジヒドロ-1H-2-ベンゾピラン-7-イル]カルボニル]-L-フェニルアラニン キーワード

N-[[(3R)-1-オキソ-3-メチル-5-クロロ-8-ヒドロキシ-3,4-ジヒドロ-1H-2-ベンゾピラン-7-イル]カルボニル]-L-フェニルアラニン化学特性,用途語,生産方法

N-[[(3R)-1-オキソ-3-メチル-5-クロロ-8-ヒドロキシ-3,4-ジヒドロ-1H-2-ベンゾピラン-7-イル]カルボニル]-L-フェニルアラニン上流と下流の製品情報

303-47-9, N-[[(3R)-1-オキソ-3-メチル-5-クロロ-8-ヒドロキシ-3,4-ジヒドロ-1H-2-ベンゾピラン-7-イル]カルボニル]-L-フェニルアラニンキーワード