基本情報
- CAS
2001098-07-1- 標準SMILES
CC(=O)NCCc1c[nH]c2ccc(O)cc12- InChIKey
MVAWJSIDNICKHF-UHFFFAOYSA-N- 分子式
- C12H14N2O2
- 平均分子量
- 218.25 g/mol
概要
N-acetylserotonin is an N-acylserotonin resulting from the formal condensation of the primary amino group of serotonin with the carboxy group of acetic acid. It has a role as a tropomyosin-related kinase B receptor agonist, an antioxidant, a mouse metabolite and a human metabolite. It is a N-acylserotonin, a member of acetamides and a member of phenols.
名称と識別子
- 優先名称
- N-Acetylserotonin
- IUPAC
- N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide
- 英語名
- N-Acetyl-d3-5-hydroxytryptamine
- 分子式
- C12H14N2O2
- 分子量
- 218.26
名称と別名
N-acetylserotonin1210-83-9N-[2-(5-Hydroxy-1H-indol-3-yl)ethyl]acetamideNormelatoninO-DemethylmelatoninN-(2-(5-Hydroxy-1H-indol-3-yl)ethyl)acetamideP4TO3C82WVDTXSID00153106CHEBI:17697N-acetylhydroxytryptamineRefChem:828919DTXCID3075597
名称をさらに表示
N-Acetylserotonin-[d3]N-Acetyl-d3-5-hydroxytryptamineN-Acetyl-5-hydroxytryptamine-d3N-Acetyl-5-Hydroxytryptamine-[D3] (Standard)N-ACETYL-5-HYDROXYTRYPTAMINE (ACETYL-D3, 98%)??-Acetyl-5-hydroxytryptamine (acetyl-D?, 98%)
214-916-5N-Acetyl-5-hydroxytryptamineacetylserotoninN-ACETYL SEROTONIN5-Hydroxy-N-acetyltryptamine5-HydroxymelatoninAcetyl-5-hydroxy-tryptamineMFCD00005656
データベース識別子
- CAS
2001098-07-1- ChEMBL
CHEMBL33103- ChEBI
CHEBI:17697- UNII
- P4TO3C82WV
- EC Number
- 214-916-5
- Nikkaji
- J125.886I
物性
構造計算による物性
- XLogP
- 0.5
- 極性表面積
- 65.1 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
- 3
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 257
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
Solubility>32.7 [ug/mL] (The mean of the results at pH 7.4)
Physical DescriptionSolid
Collision Cross Section
148.65 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
153.5 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
153.8 Ų [M+Na]+
物理化学的性質
- 融点
- 112 · 112-117°C
- 貯蔵温度
- -20 °C · -20°C Freezer, Under inert atmosphere
- 溶解性
- DMSO（微量）、メタノール（微量）
- 外見
- 個体
- 色
- オフホワイトからライトイエロー
- CAS Number Unlabeled
- 1210 · 1210-83-9
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)
化学と産業
薬理情報
Metabolism/MetabolitesN-Acetyl-5-hydroxytryptamine has known human metabolites that include 3-(2-Acetamidoethyl)-1H-indol-5-yl hydrogen sulfate and (2S,3S,4S,5R)-6-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Tissue LocationsKidney
Cellular LocationsCytoplasm
Metabolite PathwaysTryptophan metabolism
サプライヤー12 社
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
Aladdin Scientific[email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
热耳科技（上海）有限公司021-64400900 15800436310 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
南京昊绿生物科技有限公司025-84622273 17361806303 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
广州优南科技有限公司020-82000279 18988941452 · [email protected]
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