N-(6-Maleimidocaproyloxy)succinimide

HCID 5091655

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 55750-63-5
표준 SMILES: O=C(CCCCCN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIKey: VLARLSIGSPVYHX-UHFFFAOYSA-N
분자식: C14H16N2O6
평균 분자량: 308.29 g/mol
단동위원소 질량: 308.10083623

이름 및 식별자

우선 이름: N-(6-Maleimidocaproyloxy)succinimide
IUPAC: (2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
영어명: N-Succinimidyl 6-maleimidohexanoate
분자식: C14H16N2O6
분자량: 308.29

이름 및 동의어

55750-63-5NmicosAW858RP6BON-(6-Maleimidocaproyloxy)succinimideN-(epsilon-Maleimidocaproyloxy)succinimideRefChem:394651N-Succinimidyl 6-Maleimidohexanoate6-Maleimidohexanoic acid N-hydroxysuccinimide esterEMCS2,5-dioxopyrrolidin-1-yl 6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoateEMCS CrosslinkerN-Succinimidyl 6-maleimidocaproate

이름 더 보기

MCOSU6-maleimidohexanoic acid N-hydroxylsuccinimide ester6-MALEIMIDOCAPROIC ACID N-SUCCINIMIDYL ESTER6-Maleimidocaproic acid N-hydroxysuccinimide estermaleimide-(CH2)5-NHS

MFCD00043043Maleimide-(CH2)5-COONHS(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoateGS-6679AC-25054SY0315031H-Pyrrole-2,5-dione, 1-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-Mal-heptanoic NHS ester

데이터베이스 식별자

CAS: 55750-63-5
PubChem CID: 5091655
DTXSID: DTXSID40971129
UNII: AW858RP6BO
EC Number: 637-238-5
Nikkaji: J479.819H

물성

구조 계산 물성

XLogP: -0.5
극성 표면적: 101 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 8
무거운 원자 수: 22
형식 전하: 0
복잡도: 520

물리화학적 성질

녹는점: 70 · 70-73 °C(lit.)
끓는 점: 480.6 · 480.6±47.0 °C(Predicted)
밀도: 1.4 · 1.40±0.1 g/cm3(Predicted)
저장 조건: -20 °C · -20°C
용해도: 100 mg/mL · 클로로포름: 100mg/mL
물리적 상태: 가루
산도 계수 (pKa): -2.21 · -2.21±0.20(Predicted)
색상: 미색부터 옅은 갈색까지
BRN: 1499815 · 1499815
InChI: InChI=1S/C14H16N2O6/c17-10-5-6-11(18)15(10)9-3-1-2-4-14(21)22-16-12(19)7-8-13(16)20/h5-6H,1-4,7-9H2
InChIKey: VLARLSIGSPVYHX-UHFFFAOYSA-N
SMILES: N1(CCCCCC(ON2C(=O)CCC2=O)=O)C(=O)C=CC1=O

화학적 성질

White to cream colored crystals

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29280000
risk_code: 36/37/38-40
hazard_code: Xn,Xi
safety_code: 26-36/37-36
F 고인화성물질: 8-10-21
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도6-Maleimidohexanoic acid N-hydroxysuccinimide ester can be used in:Synthesis of maleimide-activated carbohydrates for site-specific glycosylation of cysteine-containing peptides and proteins via maleimide-thiol ligation reaction.Synthesis of a glucuronide prodrug of doxorubicin bearing a maleimide side chain as an antitumor agent.Cross-linking oligonucleotides with the amino groups on the substrate to fabricate DNA microarrays.