CAS 55750-53-3 6-Maleimidohexanoic acid (HCID 573683)

名称と識別子

優先名称: 6-Maleimidohexanoic acid
IUPAC: 6-(2,5-dioxopyrrol-1-yl)hexanoic acid
現地名: 6-マレイミドヘキサン酸
英語名: 6-Maleimidocaproic acid
分子式: C10H13NO4
分子量: 211.21

名称と別名

6-Maleimidocaproic acid6-Maleimidohexanoic acidRefChem:543501611-311-155750-53-36-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid6-Maleimidocapronic acid1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-2,5-dioxo-6-(2,5-dioxopyrrol-1-yl)hexanoic acidMFCD00043140Maleimide-(CH2)5-COOHN-(5-Carboxypentyl)maleimide

名称をさらに表示

6-マレイミドヘキサン酸6-マレイミドカプロン酸2,5-ジヒドロ-2,5-ジオキソ-1H-ピロール-1-カルボン酸4-ニトロベンジル(4-ニトロフェニル)メチル 2,5-ジオキソ-2,5-ジヒドロ-1H-ピロール-1-カルボキシラートEMCA6-(2,5-Dioxo-2H-pyrrol-1(5H)-yl)hexanoic acidMalHex6-MaleimidocaproicAciMal-(CH2)5-COOH (EMCA)

N-Maleoyl-6-aminocaproic acidSCHEMBL43969CHEMBL47391CS-M1809N-(6-oxo-6-hydroxyhexyl)maleimideBP-20415PD127389SY030571

データベース識別子

CAS: 55750-53-3
PubChem CID: 573683
DTXSID: DTXSID10876051
ChEMBL: CHEMBL47391
ChEBI: CHEBI:176414
EC Number: 611-311-1
Nikkaji: J685.630F

物性

構造計算による物性

XLogP: 1.1
極性表面積: 74.7 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 6
重原子数: 15
形式電荷: 0
複雑度: 291

物理化学的性質

融点: 86 · 86-91 °C
沸点: 407.3 · 407.3±28.0 °C(Predicted)
比重(密度): 1.285 · 1.285±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
溶解性: DMSO（微量）、酢酸エチル（微量）
外見: 粉
酸解離定数(Pka): 4.74 · 4.74±0.10(Predicted)
色: 白色～淡黄色
水溶解度: 水、メタノール、エタノール、ジメチルスルホキシドに可溶。エーテルに不溶。
BRN: 1532405 · 1532405
InChI: InChI=1S/C10H13NO4/c12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)15/h5-6H,1-4,7H2,(H,14,15)
InChIKey: WOJKKJKETHYEAC-UHFFFAOYSA-N
SMILES: N1(CCCCCC(O)=O)C(=O)C=CC1=O
CAS データベース: 55750 · 55750-53-3(CAS DataBase Reference)
EPAの化学物質情報: 1 H-Pyrrole-1-hexanoic · 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-2,5-dioxo- (55750-53-3)

化学的性質

化学的特性White to yellow solid, powder, crystals or crystaline powder.

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (73.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (73.2%)；Eye Irrit. 2 (25%)；STOT SE 3 (98.2%)

安全データ

F: 10-21
wgk: 3
hs_code: 29251900
risk_code: 36/37/38-41-37/38
hazard_code: Xi
safety_code: 26-36-39
Hazard Classifications: Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

上流・下流製品情報

上流原料

こはく酸無水物無水マレイン酸 (Z)-6-(3-カルボキシアクリルアミド)ヘキサン酸 6-アミノヘキサン酸

下流製品

MC-Val-Cit-PAB-OH N-(6-マレイミドカプロイル)-L-バリル-N5-カルバモイル-N-[4-[[[(4-ニトロフェノキシ)カルボニル]オキシ]メチル]フェニル]-L-オルニチンアミド McMMAE CarbaMic acid, [5-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)pentyl]-, 1,1-diMethylethyl ester 1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-2,5-dioxo-, 2-[(1,1-diMethylethoxy)carbonyl]hydrazide

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海杰又杰新材料科技有限公司021-64837106 13564410395

T&W GROUP021-61551611 13296011611 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

補足説明 · 1 件

定義ChEBI: 6-Maleimidocaproic acid is a medium-chain fatty acid. It contains a maleimide group and a terminal carboxylic acid. The terminal carboxylic acid can react with primary amine groups in the presence of activators (e.g. EDC, or HATU) to form a stable amide bond. The maleimide group will react with a thiol group to form a covalent bond, enabling the connection of biomolecule with a thiol.