1H-インドール-5,6-ジオール

5,6-Dihydroxyindole

HCID 114683
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基本情報

CAS
3131-52-0
標準SMILES
Oc1cc2cc[nH]c2cc1O
InChIKey
SGNZYJXNUURYCH-UHFFFAOYSA-N
分子式
C8H7NO2
平均分子量
149.15 g/mol
単同位体質量
149.04767847

名称と識別子

優先名称
5,6-Dihydroxyindole
IUPAC
1H-indole-5,6-diol
現地名
1H-インドール-5,6-ジオール
英語名
5,6-DIHYDROXYINDOLE
分子式
C8H7NO2
分子量
149.15

名称と別名

5,6-Dihydroxyindole3131-52-01H-Indole-5,6-diolDopamine lutine3H-INDOLE-5,6-DIOLZ3OC8499KGIMEXINE OAYDTXSID20185242CHEBI:27404RefChem:587786CHEBI:23781DTXCID30107733
名称をさらに表示
5,6-ジヒドロキシインドール1H-インドール-5,6-ジオール5,6-ジヒドロキシ-1H-インドール5,6-ジヒドロキシインド-ルジヒドロキシインドール3IDJACS-3131-52-0Indol-5,6-diolINDOLE-5,6-DIOL5,6-DIYDROXYINDOLE5.6-Dihydroxy Indol
412-130-9DihydroxyindoleMFCD00798933dhi5,6-Dihydroxy-1H-indole5,6-dihydroxy indoleCHEMBL92636BDBM50028548

データベース識別子

CAS
3131-52-0
PubChem CID
114683
DTXSID
DTXSID20185242
ChEMBL
CHEMBL92636
ChEBI
CHEBI:27404
UNII
Z3OC8499KG
EC Number
412-130-9
Nikkaji
J434.158I

物性

構造計算による物性

XLogP
1.3
極性表面積
56.3 Ų
水素結合供与体数
3
水素結合受容体数
2
回転可能結合数
0
重原子数
11

実験および物理化学的性質

Physical DescriptionSolid

物理化学的性質

融点
140 °C · 140 °C (decomp)
沸点
411.2 · 411.2±25.0 °C(Predicted)
比重(密度)
1.51 · 1.510±0.06 g/cm3(Predicted)
貯蔵温度
-20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
溶解性
10 mg/ml; · DMF: 10 mg/ml; DMSO: 3 mg/ml; Ethanol: 10 mg/ml; Ethanol:PBS(pH 7.2) (1:1): 0.5 mg/ml
外見
個体

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]；H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]；H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)

Danger

危険有害性情報

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/2544
Hazard Classes and Categories · 3 件

Acute Tox. 4 (100%)；Eye Dam. 1 (97.4%)；Aquatic Chronic 2 (97.4%)

Acute toxicity - category 4；Eye damage - category 1；Hazardous to the aquatic environment (chronic) - category 2

Acute Tox. 4 *；Eye Dam. 1；Aquatic Chronic 2

法規制情報

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/2544

安全データ

wgk
WGK 3
hs_code
2933998090
risk_code
22-41-51/53
hazard_code
Xn,N
safety_code
22-26-36/37/39-61
Hazard Classifications
Acute Tox. 4 OralAquatic Chronic 2Eye Dam. 1

化学と産業

薬理情報

Metabolism/MetabolitesDihyroxy-1H-indole has known human metabolites that include Dihyroxy-1H-indole glucuronide I.
MeSH Pharmacological Classification · 2 件

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Compounds and drugs that inhibit or block the activity of CATECHOL O-METHYLTRANSFERASE enzymes. Drugs in this class are used in management of central nervous system disorders such as PARKINSON DISEASE.

Metabolite PathwaysAlkaptonuria；Disulfiram Action Pathway；Dopamine beta-hydroxylase deficiency；Hawkinsinuria；Monoamine oxidase-a deficiency (MAO-A)；Tyrosine metabolism；Tyrosinemia Type I；Tyrosinemia, transient, of the newborn

用途と製造

Use ClassificationCosmetics -> Hair dyeing
応用分野 · 1 件

説明5,6-Dihydroxyindole is a melanin precursor. It is one of the toxic compounds in the melanin biosynthetic pathway. 5,6-Dihydroxyindole is an indole derivative that contains two hydroxyl groups attached to the 5th and 6th positions of the indole ring. It is an intermediate in the biosynthesis of melanin, a pigment responsible for the coloration of hair, skin, and eyes in humans and other organisms.

上流・下流製品情報

サプライヤー100 社

杭州创引化工科技有限公司0571-87086220 13516718938 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
镇江中智化学科技有限公司0511-15050866711; 15050866711 · [email protected]

補足説明

定義本品は、次の化学式であらわされる複素環式化合物である。

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