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12,13-エポキシトリコテカ-9-エン-3α,4β,8α,15-テトラオール

T-2 Tetraol

HCID 9904331
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
34114-99-3
標準SMILES
CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@](C)([C@@]2(CO)C[C@@H]1O)[C@]31CO1
InChIKey
ZAXZBJSXSOISTF-LYFQSNBGSA-N
分子式
C15H22O6
平均分子量
298.33 g/mol
単同位体質量
298.14163842

概要

T-2 Tetraol has been reported in Fusarium heterosporum, Fusarium acuminatum, and other organisms with data available.

名称と識別子

優先名称
T-2 Tetraol
IUPAC
(1S,2R,4S,7R,9R,10R,11S,12S)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4,10,11-triol
現地名
12,13-エポキシトリコテカ-9-エン-3α,4β,8α,15-テトラオール
英語名
t-2 Tetraol
分子式
C15H22O6
分子量
298.33

名称と別名

T-2 Tetraol34114-99-3T-2 toxin tetraolZ00UFS2AP1Toxin T 2 tetraolDTXSID10893263(1S,2R,4S,7R,9R,10R,11S,12S)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4,10,11-triolTrichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, (3alpha,4beta,8alpha)-(1S,2R,4S,7R,9R,10R,11S,12S)-2-(hydroxymethyl)-1,5-dimethylspiro(8-oxatricyclo(7.2.1.02,7)dodec-5-ene-12,2'-oxirane)-4,10,11-triolRefChem:890144DTXCID001323198T-2-TETRAOL
名称をさらに表示
T-2テトラオール12,13-エポキシトリコテカ-9-エン-3α,4β,8α,15-テトラオールT-4トキシンT‐2テトラオール標準液T-2テトラオール溶液(50ΜG/MLアセトニトリル溶液)T-2-テトラオール 溶液(1'S,2S,2'R,4'S,7'R,9'R,10'R,11'S)-2'-(ヒドロキシメチル)-1',5'-ジメチル-8'-オキサスピロ[オキシラン-2,12'-トリシクロ[7.2.1.02,7]ドデカン]-5'-エン-4',10',11'-トリオールT-2テトラオール標準液T-4 toxinT2 Tetraot-2tetraolt-2toxintetraolT-2-Tetraol solution

物性

構造計算による物性

XLogP
-2.1
極性表面積
103 Ų
水素結合供与体数
4
水素結合受容体数
6
回転可能結合数
1
重原子数
21
形式電荷
0
複雑度
520

物理化学的性質

融点
197 · 197 - 200oC
沸点
515.2 · 515.2±50.0 °C(Predicted)
比重(密度)
1.48 · 1.48±0.1 g/cm3(Predicted)
闪点
6 ℃ · 6℃
貯蔵温度
20 °C · −20°C
溶解性
アセトニトリル(微量)、メタノール(微量)
外見
個体
酸解離定数(Pka)
13.68 · 13.68±0.70(Predicted)
色
ホワイトからオフホワイト

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 · 4 件

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P337+P317, P361+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 InformationRegulation (EC) No 178/2002 (amended)
Hazard Classes and CategoriesAcute Tox. 2 (100%)

毒性情報

Treatment · 1 件

There are no known antidotes to trichothecene mycotoxins. Treatments are directed at supporting hemopoietic abnormalities, gastrointestinal damage, and skin damage. Administer charcoal as a slurry in case of acute oral exposure. In case of inhalation: Move patient to fresh air. Monitor for respiratory distress. If cough or difficulty breathing develops, evaluate for respiratory tract irritation, bronchitis, or pneumonitis. Administer oxygen and assist ventilation as required. Treat bronchospasm with inhaled beta2 agonist and oral or parenteral corticosteroids. In case of eye exposure, Irrigate exposed eyes with copious amounts of room temperature water for at least 15 minutes. In case of dermal exposure, Remove contaminated clothing and wash exposed area thoroughly with soap and water. (A704)

Health Effects · 1 件

Trichothecenes have multiorgan effects including anoerxia and weight loss, growth retardation, nervous disorders, cardiovascular alterations, immunodepression, hemostatic derangements, skin toxicity, decreased reproductive capacity, bone marrow damage, and alimentary toxic aleukia. (L1948, L1949, A2964)

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

Trichothecenes are lipophilic and thus easily absorbed through the skin, gut, and pulmonary mucosa. They are metabolized mainly by cytochrome P-450 and trichothecene-specific carboxylesterase activity in the liver, although other tissues such as the kidney, spleen, and intestine also show some metabolic activity. Trichothecenes are metabolically transformed to less toxic metabolites by such reactions as hydrolysis, hydroxylation, de-epoxidation, and glucuronidation. Metabolites are excreted in the urine and feces. (L1910, L1949)

用途と製造

Uses · 1 件

Trichothecenes are a very large family of chemically related mycotoxins produced by various species of Fusarium, Myrothecium, Trichoderma, Trichothecium, Cephalosporium, Verticimonosporium, and Stachybotrys. They are produced on many different grains like wheat, oats or maize by various Fusarium species such as F. graminearum, F. sporotrichioides, F. poae and F. equiseti. Some molds that produce trichothecene mycotoxins, such as Stachybotrys chartarum, can grow in damp indoor environments and may contribute to health problems among building occupants. (L1948)

応用分野

使用T2 Tetraol is a type A trichothecene mycotoxin.

サプライヤー27 社

阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

関連反応

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化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
T2 Tetraol 100ug/ml in ACN
T-2 Tetraol in acetonitrile
12,13-Epoxytrichothec-9-ene-3α,4β,8α,15-tetrol
3α,4β,8α,15-Tetrahydroxy-12,13-epoxytrichothec-9-ene
T-2 Tetraol Solution (50μg/ml in Acetonitrile Solution)
T-?2 Tetraol(2R,2'S,3R,4S,5S,5AR,7S,9aR)-5a-(hydroxymethyl)-5,8-dimethyl-2,3,4,5,5a,6,7,9a-octahydrospiro[2,5-methanobenzo[b]oxepine-10,2'-oxirane]-3,4,7-triol3-alpha,4-beta,8-alpha,15-Tetrahydroxy-12,13-epoxytrichothec-9-eneMFCD00078761T2 TetraolTrichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, (3.alpha.,4.beta.,8.alpha.)-T- 2 TetraolUNII-Z00UFS2AP1

データベース識別子

CAS
34114-99-3
PubChem CID
9904331
DTXSID
DTXSID10893263
ChEMBL
CHEMBL152377
UNII
Z00UFS2AP1
EC Number
621-631-3
Nikkaji
J23.685C
Exposure RoutesOral, dermal, inhalation, and parenteral (contaminated drugs). (A3101)
Toxicity Summary · 1 件

Unlike many other mycotoxins, trichothecenes do not require metabolic activation to exert their biological activity, instead directly reacting with cellular components. Trichothecenes are cytotoxic to most eukaryotic cells due to their powerful ability to inhibit protein synthesis. They do this by freely moving across the plasma membrane and binding specifically to ribosomes with high-affinity. Specifically, they interfere with the active site of peptidyl transferase at the 3'-end of large 28S ribosomal RNA and inhibit the initiation, elongation or termination step of protein synthesis, as well as cause polyribosomal disaggregation. Protein synthesis is an essential function in all tissues, but tissues where cells are actively and rapidly growing and dividing are very susceptible to the toxins. Additionally, binding to ribosomes is thought to activate proteins in downstream signalling events related to immune response and apoptosis, such as mitogen-activated protein kinases. This is known as ribotoxic stress response. Trichothecenes may also induce some alterations in membrane structure, leading to increased lipid peroxidation and inhibition of electron transport activity in the mitochondria. They can further induce apoptosis through generation of reactive oxygen species. Further secondary effects of trichothecenes include inhibition of RNA and DNA synthesis, and also inhibition of mitosis. (L1948, L1949, A2962, A2963, A2964, A2980)

Signs and Symptoms · 1 件

After direct dermal application or oral ingestion, the trichothecene mycotoxins can cause rapid irritation to the skin or intestinal mucosa, including skin irritation, burning and itching, rash or blisters, and bleeding. Eye contact can cause tearing, eye pain, conjunctivitis, burning sensations about the eyes, and blurred vision for up to 1 week. Symptoms also include nausea, vomiting, fatigue, dyspnea, and acute vascular effects leading to hypotension and shock. (L1948, L1949)

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

安全データ

wgk
2
rtecs
YC9980000
ridadr
UN2811 6.1/PG 1
PRTR法
1-13
hs_code
38220090
risk_code
26/27/28-36/37/38-36-20/21/22-11
安衛法
57-2
消防法
危-4-1-S-II
hazard_code
T+,Xn,F
safety_code
22-36/37/39-45-36/37-16
毒劇物取締法
II
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
湖北威德利化学试剂有限公司15871722230 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
青岛贞开生物医药技术有限公司0532-58268781 18561687109 · [email protected]
上海超岚化工科技中心(原上海巢莱)0-2022843681 15618226720 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Aladdin Scientific[email protected]
四川恒诚致远生物科技有限公司18113192475 18113192475 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
上海禾午生物科技有限公司021-57886085 17317861055 · [email protected]