基本情報
- 標準SMILES
O=C(O)CNC(=O)OCC1c2ccccc2-c2ccccc21- InChIKey
NDKDFTQNXLHCGO-UHFFFAOYSA-N- 分子式
- C17H15NO4
- 平均分子量
- 297.3 g/mol
- 単同位体質量
- 297.10010796
概要
in contrast to a closely related analog NPC 15669, this compound is inactive as an inhibitor of neutrophil recruitment
名称と識別子
- 優先名称
- Fmoc-Gly-OH
- IUPAC
- 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
- 現地名
- N-[(9H-フルオレン-9-イルメトキシ)カルボニル]グリシン
- 英語名
- Fmoc-Gly-OH
- 分子式
- C17H15NO4
- 分子量
- 297.31
名称と別名
名称をさらに表示
データベース識別子
- CAS
29022-11-5- PubChem CID
- 93124
- DTXSID
DTXSID60183262- ChEMBL
CHEMBL5429058- UNII
- T5AMN9BP5V
- EC Number
- 249-373-3
- Nikkaji
- J248.076J
物性
構造計算による物性
- XLogP
- 2.7
- 極性表面積
- 75.6 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 5
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 403
実験および物理化学的性質
物理化学的性質
- 融点
- 174 · 174-175 °C(lit.)
- 沸点
- 438.82 °C · 438.82°C (rough estimate)
- 比重(密度)
- 1.1671 · 1.1671 (rough estimate)
- 屈折率
- 1.45 · 1.4500 (estimate)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- almost transparency in Methanol
- 外見
- 粉
- 酸解離定数(Pka)
- 3.89 · 3.89±0.10(Predicted)
- 色
- 白い
- BRN
- 2163967 · 2163967
- 主な用途
- ペプチド合成
- InChI
- InChI=1S/C17H15NO4/c19-16(20)9-18-17(21)22-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,18,21)(H,19,20)
- InChIKey
- NDKDFTQNXLHCGO-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CNC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O
- CAS データベース
- 29022 · 29022-11-5(CAS DataBase Reference)
化学的性質
化学的特性white to light yellow crystal powde
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (5 of 10) of reports.
Warning
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 10 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
安全データ
- wgk
- 3
- hs_code
- 29242995
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- ストレージクラス
- 11 - Combustible Solids
化学と産業
応用分野
用途ペプチドを合成する際の原料。
使用Fmoc-Gly-OH is an N-Fmoc-protected form of Glycine (G615990). Glycine is a nonessential amino acid that acts as an inhibitory neyrotransmitter in the vertebrate central nervous system. Glycine also posesses cytoprotective against oxidant damage in the kidney.
一般的な説明Fmoc-Gly-OH is used for fmoc solid-phase peptide synthesis.
調製方法
製造方法Glycine (Gly) (0.5 g, 6.66 mmol) was dissolved in 10% NaCO3 (14 ml) under stirring in a 50-ml flask. To the resulting solution, which had been put into an ice bath, 9-fluorenylmethoxycarbonyl chloride (Fmoc-Cl) (1.72 g, 6.66 mmol) in dioxane (12 ml) was gradually added. The reaction mixture was stirred at room temperature for 4 hours. Then added water (150 ml) to the mixture. The aqueous phase layer was separated from the reaction mixture and stripped with ether three times (75 ml×3). The stripped aqueous layer was acidified with 2N HCl aqueous solution to a pH=2, followed by extraction with ethyl acetate three times (75 ml×3). The organic phase layer was recovered and concentrated to obtain crude product of 1.70 g. The crude product was recrystallized in a mixed solvent of ethyl acetate hexane=1:2 (30 ml), and white solid denoted as Fmoc-Gly-OH was obtained after filtration at a reduced pressure.
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