基本情報
- 標準SMILES
CCCC=CC=O- InChIKey
MBDOYVRWFFCFHM-UHFFFAOYSA-N- 分子式
- C6H10O
- 平均分子量
- 98.14 g/mol
- 単同位体質量
- 98.07316494
概要
2-Hexenal has been reported in Aethus indicus, Humulus lupulus, and other organisms with data available.
名称と識別子
- 優先名称
- Hexenal
- IUPAC
- hex-2-enal
- 英語名
- Hexenal
- 分子式
- C6H10O
- 分子量
- 98.143
名称と別名
名称をさらに表示
データベース識別子
- CAS
1335-39-3、505-57-7- PubChem CID
- 10460
- DTXSID
DTXSID7021609
物性
構造計算による物性
- XLogP
- 1.5
- 極性表面積
- 17.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 3
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 64.6
実験および物理化学的性質
物理化学的性質
- EPAの化学物質情報
- Hexenal (1335-39-3)
安全と法規制
危険有害性情報
毒性情報
Toxicity Summary
Uremic toxins such as 2-Hexenal are actively transported into the kidneys via organic ion transporters (especially OAT3). Increased levels of uremic toxins can stimulate the production of reactive oxygen species. This seems to be mediated by the direct binding or inhibition by uremic toxins of the enzyme NADPH oxidase (especially NOX4 which is abundant in the kidneys and heart) (A7868). Reactive oxygen species can induce several different DNA methyltransferases (DNMTs) which are involved in the silencing of a protein known as KLOTHO. KLOTHO has been identified as having important roles in anti-aging, mineral metabolism, and vitamin D metabolism. A number of studies have indicated that KLOTHO mRNA and protein levels are reduced during acute or chronic kidney diseases in response to high local levels of reactive oxygen species (A7869).
Signs and Symptoms
As a uremic toxin, this compound can cause uremic syndrome. Uremic syndrome may affect any part of the body and can cause nausea, vomiting, loss of appetite, and weight loss. It can also cause changes in mental status, such as confusion, reduced awareness, agitation, psychosis, seizures, and coma. Abnormal bleeding, such as bleeding spontaneously or profusely from a very minor injury can also occur. Heart problems, such as an irregular heartbeat, inflammation in the sac that surrounds the heart (pericarditis), and increased pressure on the heart can be seen in patients with uremic syndrome. Shortness of breath from fluid buildup in the space between the lungs and the chest wall (pleural effusion) can also be present.
安全データ
- tsca
- TSCA listed
化学と産業
薬理情報
MeSH Pharmacological Classification
Drugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
Substances that do not act as agonists or antagonists but do affect the GAMMA-AMINOBUTYRIC ACID receptor-ionophore complex. GABA-A receptors (RECEPTORS, GABA-A) appear to have at least three allosteric sites at which modulators act: a site at which BENZODIAZEPINES act by increasing the opening frequency of GAMMA-AMINOBUTYRIC ACID-activated chloride channels; a site at which BARBITURATES act to prolong the duration of channel opening; and a site at which some steroids may act. GENERAL ANESTHETICS probably act at least partly by potentiating GABAergic responses, but they are not included here.
用途と製造
サプライヤー1 社
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