Ferrostatin-1

HCID 4068248CAS 347174-05-4

기본 정보

표준 SMILES
CCOC(=O)c1ccc(NC2CCCCC2)c(N)c1
InChIKey
UJHBVMHOBZBWMX-UHFFFAOYSA-N
분자식
C15H22N2O2
평균 분자량
262.35 g/mol

개요

Ferrostatin-1 is an ethyl ester resulting from the formal condensation of the carboxy group of 3-amino-4-(cyclohexylamino)benzoic acid with ethanol. It is a potent inhibitor of ferroptosis, a distinct non-apoptotic form of cell death caused by lipid peroxidation. It is also a radical-trapping antioxidant and has the ability to reduce the accumulation of lipid peroxides and chain-carrying peroxyl radicals. It has a role as a ferroptosis inhibitor, an antioxidant, an antifungal agent, a radical scavenger, a neuroprotective agent and a radiation protective agent. It is an ethyl ester, a substituted aniline and a primary arylamine.

이름 및 식별자

우선 이름
Ferrostatin-1
IUPAC
ethyl 3-amino-4-(cyclohexylamino)benzoate
영어명
Ferrostatin-1 (Fer-1)
분자식
C15H22N2O2
분자량
262.35

이름 및 동의어

Ferrostatin-1CHEBI:173086RefChem:140298347174-05-4Ethyl 3-amino-4-(cyclohexylamino)benzoateFerrostatin-1 (Fer-1)Ferrostatin 1Fer-1MFCD08072959Benzoic acid, 3-amino-4-(cyclohexylamino)-, ethyl ester3-amino-4-cyclohexylaminobenzoic acid ethyl esterCHEMBL3633556
이름 더 보기
Fer1Fer 1SML0583-5MGFerrostatins-13-amino-4-(cycLCCP.347174-05-4-G-1Fer-1 (Ferrostatin-1)Ferrostatin-1, 10 mM in DMSO
ethyl 3-amino-4-cyclohexylaminobenzoateferrrostatin 1Ferrostatin-1 (Fer-1)?3-amino-4-(cyclohexylamino)-benzoic acid, ethyl esterorb1225231orb1300714SCHEMBL2032512SCHEMBL18137149

데이터베이스 식별자

CAS
347174-05-4
PubChem CID
4068248
ChEMBL
CHEMBL3633556
ChEBI
CHEBI:173086
EC Number
803-483-3
Nikkaji
J1.937.012G

물성

구조 계산 물성

XLogP
3.3
극성 표면적
64.4 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
5
무거운 원자 수
19

물리화학적 성질

끓는 점
437.3 · 437.3±35.0 °C(Predicted)
밀도
1.15 · 1.150±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C
용해도
10 mg/mL, · DMSO: 용해성10mg/mL, 투명
산도 계수 (pKa)
4.78 · 4.78±0.11(Predicted)
물리적 상태
가루

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 41 reports by companies from 4 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
2922498590
risk_code
36/37/38
hazard_code
Xi
safety_code
26
위험 등급
IRRITANT

화학 및 산업

응용 분야

용도Ferrostatin-1 (Fer-1) is a potent and selective inhibitor of ferroptosis.

공급사50 곳

阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]

관련 반응

15건

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