FMOC-L-valine (HCID 688217)

名称と識別子

優先名称: FMOC-L-valine
IUPAC: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid
現地名: N-[(9H-フルオレン-9-イルメトキシ)カルボニル]-L-バリン
英語名: FMOC-L-Valine
分子式: C20H21NO4
分子量: 339.39

名称と別名

Fmoc-L-valine68858-20-8RefChem:345606Fmoc-Val-OHFmoc-L-Val-OHN-Fmoc-L-valineFMOC-VALINEMFCD00037124N-(9-Fluorenylmethoxycarbonyl)-L-valine(S)-2-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-3-METHYLBUTANOIC ACID(((9H-fluoren-9-yl)methoxy)carbonyl)-L-valine(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid

名称をさらに表示

N-[(9H-フルオレン-9-イルメトキシ)カルボニル]-L-バリンN-[(9H-フルオレン-9-イルメチル)オキシカルボニル]バリンN-(9H-フルオレン-9-イルメトキシカルボニル)-L-バリンN-(9H-フルオレン-9-イルメトキシカルボニル)バリンFmoc-バリンFmocバリンN-Fmoc-L-バリンN‐FMOC‐L‐バリンFMOC-L-バリン(2S)-2-[(9H-フルオレン-9-イルメトキシカルボニル)アミノ]-3-メチルブタン酸(2S)-2-({[(9H-フルオレン-9-イル)メトキシ]カルボニル}アミノ)-3-メチルブタン酸N-((9H-フルオレン-9-イル)メトキシカルボニル)-L-バリンFMOC-VALFMOC-L-VALN-[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]-L-VALINEValine-d8Fomc-val-OH

SCHEMBL120703M03378STR09734L-Valine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-AC8023AKOS015924209EN300-81244(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylbutanoic acid

データベース識別子

CAS: 68858-20-8
PubChem CID: 688217
DTXSID: DTXSID901317560
ChEMBL: CHEMBL560019
UNII: S9C32XT8YE
EC Number: 272-515-0
Nikkaji: J256.553F

物性

構造計算による物性

XLogP: 4
極性表面積: 75.6 Å²
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: 6
重原子数: 25
形式電荷: 0
複雑度: 470

実験および物理化学的性質

Physical DescriptionWhite solid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 143 · 143-145 °C(lit.)
比旋光度: -16 · -16 º (c=1,DMF)
沸点: 475.36 °C · 475.36°C (rough estimate)
比重(密度): 1.227 · 1.2270 (rough estimate)
屈折率: -17.5 ° · -17.5 ° (C=1, DMF)
貯蔵温度: 2 · 2-8°C
溶解性: メタノールに溶解すると、非常にかすかな濁りが生じます。
酸解離定数(Pka): 3.9 · 3.90±0.10(Predicted)
外見: 個体
色: オフホワイト
BRN: 2177443 · 2177443
主な用途: ペプチド合成
InChI: InChI=1S/C20H21NO4/c1-12(2)18(19(22)23)21-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18H,11H2,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKey: UGNIYGNGCNXHTR-SFHVURJKSA-N
SMILES: C(O)(=O)[C@H](C(C)C)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O
CAS データベース: 68858 · 68858-20-8(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 · 6 件

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]；H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (30%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (30%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (30%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.；Reported as not meeting GHS hazard criteria per 5 of 10 reports by companies.；There are 3 notifications provided by 5 of 10 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazards SummaryNot considered hazardous by GHS classification; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (30%)；Eye Irrit. 2A (30%)；STOT SE 3 (30%)

安全データ

wgk: 3
hs_code: 29242990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 36/37/39-26-22-27-24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

UsesUsed in peptide and chemical syntheses; [EMD Millipore MSDS]

応用分野 · 3 件

用途ペプチドを合成する際の原料。

使用Fmoc-Val-OH is potentially useful for proteomics studies and solid phase peptide synthesis techniques. Fmoc-valine (in addition to the other amino acids) is commonly used to synthesize 4-thiazolidinones (e.g. (E)-5-(4-Ethylbenzylidene)-2-thioxothiazolidin-4-one [E925745]) and 4-metathiazanones as well.

一般的な説明FMOC-L-Valine is potentially useful for proteomics studies and solid phase peptide synthesis techniques.