Hexenal

HCID 10460CAS 1335-39-3

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

Hexenal1335-39-3RefChem:787469CHEBI:24578DTXSID1010527182-Hexen-1-alTrans-3-propyalacroleinn-C3H7CH=CHCHO(E)-2-hexen-1-alCHEBI:19591(Z)-2-hexen-1-alEpitope ID:143637
名称をさらに表示
SCHEMBL29822SCHEMBL233667DTXSID7021609s6303AKOS025243569SB85391NS00080067D78252

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

実験および物理化学的性質

SpringerMaterials PropertiesDielectric constant

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

Regulatory InformationChemical: Hexenal
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

毒性情報

TreatmentKidney dialysis is usually needed to relieve the symptoms of uremic syndrome until normal kidney function can be restored.
Health EffectsChronic exposure to uremic toxins can lead to a number of conditions including renal damage, chronic kidney disease and cardiovascular disease.
Exposure RoutesEndogenous, Ingestion, Dermal (contact)
Toxicity Summary · 1 件

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 · 1 件

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.

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

安全データ

tsca
TSCA listed

化学と産業

薬理情報

Metabolism/MetabolitesUremic toxins tend to accumulate in the blood either through dietary excess or through poor filtration by the kidneys. Most uremic toxins are metabolic waste products and are normally excreted in the urine or feces.
MeSH Pharmacological Classification · 2 件

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

UsesNaturally produced by the body (endogenous).
General Manufacturing InformationHexenal: INACTIVE

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