Xanthotoxol

HCID 65090

기본 정보

CAS
2009-24-7
표준 SMILES
O=c1ccc2cc3ccoc3c(O)c2o1
InChIKey
JWVYQQGERKEAHW-UHFFFAOYSA-N
분자식
C11H6O4
평균 분자량
202.16 g/mol
단동위원소 질량
202.02660867

개요

Xanthotoxol is an 8-hydroxyfurocoumarin.

이름 및 식별자

우선 이름
Xanthotoxol
IUPAC
9-hydroxyfuro[3,2-g]chromen-7-one
영어명
XANTHOTOXOL
분자식
C11H6O4
분자량
202.16

이름 및 동의어

Xanthotoxol2009-24-78-HydroxypsoralenPsoralen, 8-hydroxy-7H-Furo[3,2-g][1]benzopyran-7-one, 9-hydroxy-9-hydroxyfuro[3,2-g]chromen-7-one8-Hydroxyfuranocoumarin9-Hydroxy-7H-furo(3,2-g)(1)benzopyran-7-one7H-Furo(3,2-g)(1)benzopyran-7-one, 9-hydroxy-9-Hydroxy-7H-furo[3,2-g][1]benzopyran-7-one8RL486L8A5NSC-401269
이름 더 보기
9-hydroxy-NSC 401269AKOS 210-08Xanthotoxol-RMXanthotoxol(AS)Xanthotoxol?, BRXanthotoxol (6CI)8-hydroxypsoralene
CHEBI:15709DTXSID501739109-hydroxy-2H-furo[3,2-g]chromen-2-one9-hydroxyfuro(3,2-g)chromen-7-one9-hydroxy-2H-furo(3,2-g)chromen-2-oneRefChem:195184DTXCID8096401217-923-1

데이터베이스 식별자

CAS
2009-24-7
PubChem CID
65090
DTXSID
DTXSID50173910
ChEMBL
CHEMBL1192
ChEBI
CHEBI:15709
UNII
8RL486L8A5
EC Number
217-923-1
Nikkaji
J7.847F

물성

구조 계산 물성

XLogP
1.6
극성 표면적
59.7 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
0
무거운 원자 수
15

실험 및 물리화학적 성질

Melting Point251 - 252 °C
Physical DescriptionSolid

물리화학적 성질

녹는점
250 °C · 250°C
끓는 점
428.1 · 428.1±45.0 °C(Predicted)
밀도
1.526 · 1.526±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체

화학적 성질

Dark Brown Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk
WGK 3
ridadr
2810
HS 번호
29329990
risk_code
25
safety_code
20-45-24/25
Hazard Classifications
Acute Tox. 4 OralSkin Sens. 1

화학 및 산업

약리 정보

Cellular LocationsCytoplasm
응용 분야 · 2건

개요Xanthotoxol is a coumarin and a major component in C. monnieri that has diverse biological activities. It inhibits proliferation of HeLa and HepG2 cells in vitro (IC50s = 23.59 and 15.57 μM, respectively). Xanthotoxol increases histamine release from mast cells and decreases secretion of TNF-α, IL-4, and IL-1β from RBL-2H3 cells induced by DNP-human serum albumin (DNP-HSA). It is nematocidal against M. incognita (IC50 = 68 mg/L). In vivo, xanthotoxol inhibits predatory mouse and rat killing behavior in dogs and cats when administered at doses ranging from 3 to 100 mg/kg and 5 to 20 mg/kg, respectively. It reduces amphetamine-induced hypermobility in mice and hamsters. Xanthotoxol (5 and 10 mg/kg) reduces brain edema, neutrophil infiltration, blood-brain barrier disruption, production of IL-1β, TNF-α, IL-8, and nitric oxide (NO), and levels of intercellular adhesion molecule-1 (ICAM-1) and E-selectin in a rat model of focal cerebral ischemia.

용도Xanthotoxol is a hydroxylated psoralen that inhibits neutrophil infiltration and brain edema induced by focal cerebral ischemia-reperfusion injury in rats. A potentially useful antiarrhythmic agent. It has been show n to be effective in the prevention of ventricular fibrillation of mice induced by chloroform, of rats induced by calcium chloride, and in treatment of rat arrhythmia induced by aconitine. Recent stud ies show that it may also have antioxidant and anticancer activities.

공급사100 곳

北京华美互利生物化工010-56205725 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
成都曼思特生物科技有限公司18010516991 · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

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