기본 정보
- 표준 SMILES
O=C(O)CNC(=O)OCC1c2ccccc2-c2ccccc21- InChIKey
NDKDFTQNXLHCGO-UHFFFAOYSA-N- 분자식
- C17H15NO4
- 평균 분자량
- 297.3 g/mol
- 단동위원소 질량
- 297.10010796
개요
in contrast to a closely related analog NPC 15669, this compound is inactive as an inhibitor of neutrophil recruitment
이름 및 식별자
- 우선 이름
- Fmoc-Gly-OH
- IUPAC
- 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
- 영어명
- Fmoc-Gly-OH
- 분자식
- C17H15NO4
- 분자량
- 297.31
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
29022-11-5- PubChem CID
- 93124
- DTXSID
DTXSID60183262- ChEMBL
CHEMBL5429058- UNII
- T5AMN9BP5V
- EC Number
- 249-373-3
- Nikkaji
- J248.076J
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 75.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 403
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 174 · 174-175 °C(lit.)
- 끓는 점
- 438.82 °C · 438.82°C (rough estimate)
- 밀도
- 1.1671 · 1.1671 (rough estimate)
- 굴절률
- 1.45 · 1.4500 (estimate)
- 저장 조건
- 2 · 2-8°C
- 용해도
- almost transparency in Methanol
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 3.89 · 3.89±0.10(Predicted)
- 색상
- 하얀색
- BRN
- 2163967 · 2163967
- 주요 응용
- 펩타이드 합성
- 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
화학적 성질
white to light yellow crystal powde
안전 및 규제
GHS 분류
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.
유해성 정보
안전 데이터
- wgk
- 3
- HS 번호
- 29242995
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Fmoc-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.
일반 설명Fmoc-Gly-OH is used for fmoc solid-phase peptide synthesis.
제조 방법
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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