디오스민

디오스민 · 다이오스민 · DIOSMETIN-7-O-RUTINOSIDE · Hesperedin · DIOSIMIN · DIOSMINE · SiF6 · Rubber powder

https://huagongshe.com/ko/chemical/5281613

식별자 및 물리적 특성

CAS No.	520-27-4
분자식	C28H32O15
평균 분자량	608.5 g/mol
단동위원소 질량	608.17412032 g/mol
SMILES	COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O
InChIKey	GZSOSUNBTXMUFQ-YFAPSIMESA-N
PubChem CID	5281613
ChEMBL	CHEMBL231884
ChEBI	CHEBI:4631
EC No.	208-289-7
DTXSID	DTXSID4045892
현지명	디오스민

화학 및 물리적 성질

XLogP	-0.8
극성 표면적	234
수소 결합 공여자 수	8
수소 결합 수용자 수	15
회전 가능 결합 수	7
무거운 원자 수	43
형식 전하	0
복잡도	995
의약품	Pharmaceuticals -> Listed in ZINC15Pharmaceuticals -> Used in Switzerland
지질	Polyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
화장품	Antioxidant
LogP(분배 계수)	0.14
끓는 점	926.8±65.0926.8±65.0 °C(Predicted)
녹는점	277-278277-278°C
Dissociation Constants	6.10±0.40
Collision Cross Section	243.33 Å² [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]242.5 Å² [M+H]+ [CCS Type: TW
밀도	1.68±0.1 g/cm3(Predicted)
증기압	0Pa at 20℃
저장 조건	Sealed in dry,2-8°C
용해도	물에 거의 녹지 않으며, 디메틸설폭사이드에 녹고, 알코올에는 거의 녹지 않습니다. 알칼리 수산화물의 묽은 용액에 용해됩니다.
물리적 상태	Solid
pKa(산도 계수)	6.10±0.40(Predicted)
색상	페일베이지부터 브라운까지
용해도	DMSO(50mg/ml), 물(25°C에서 122mg/ml) 및 에탄올(25°C에서 <1mg/ml)에 용해됩니다.
Merck	14,3297
주요 응용	음식 및 음료
화장품 원료 기능	항산화제
InChIKey	GZSOSUNBTXMUFQ-YFAPSIMESA-N
SMILES	COc1ccc(cc1O)C2=CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2
LogP(분배 계수)	0.14 at 20℃

화학적 성질

Diosmin is a natural flavonoid mainly present in the peel of some citrus fruits, such as oranges and lemons. Flavonoids are anti-inflammatory plant compounds that protect your body from free radicals and other unstable molecules. The most prevalent uses for Diosmin include hemorrhoids and leg sores caused by poor blood flow. Diosmin was first found in 1925 in the wort plant and has since been used as a natural treatment for hemorrhoids, varicose veins, venous insufficiency, leg ulcers, and other circulatory issues.

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 90.8% (89 of 98) of all reports.Not ClassifiedAggregated GHS information provided per 98 reports by companies from 2 notifications to the ECHA C&L Inventory.
규제 정보	Status: Active Update: 13-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21071
Hazard Classes and Categories	Not Classified
수질 위해 등급(WGK)	3
관세 코드	29381000
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36-36/37-24/25
기존화학 물질	KE-34297
저장 분류	11 - Combustible Solids

용도

개요

Diosmin was separated from the root of Scrophularia nodosa L. in 1925. The root of Scrophularia nodosa L. has the function of nourishing, reducing fever, relieving internal heat, and detoxicating. It was firstly recorded in the Shen Nong’s Classic of Materia Medica, as a class of middle-grade drug and is currently recorded in the Ch.P 2015, Volume I. The natural resource was abundant in China, mainly provided from Zhejiang, Sichuan, Hubei, Anhui, and Jiangsu provinces. In the clinical practice, Scrophularia nodosa L. was employed to eliminate pathogenic heat from the blood. In the clinical indication, diosmin was mainly applied to treat fever, polydipsia, maculitis, gingivitis, amygdalitis, laryngopharyngitis, acute lymphadenitis, etc. It also has the biological function of antiplatelet aggregation and antitumor. The chemical components include iridoids, phenylpropanoid glycoside, flavonoids, and fatty acids.

역사

Diosmin was firstly introduced as a medicine in 1969. It was launched in France in 1987 with the product name “Alvenor.” As the protecting agent for blood vessel and therapeutic agent for chronic venous disease, diosmin has been used for over 30years in EuropeDiosmin is a typical flavonoid. It could be prepared from natural resources or semisynthesized from the natural product hesperidin by dehydrogenation reaction.

용도

Diosmin is an agonist of the aryl hydrocarbon receptor (AhR) and exhibits anti-proliferative and anti-inflammatory. It is used in the treatment of venous disease, i.e., chronic venous insufficiency (CVI) and hemorrhoidal disease (HD). Diosmin also reduces capillary hyperpermeability and expression of endothelial adhesion molecules (ICAM1, VCAM1). It effectively inhibits the P-glycoprotein (Pgp)-mediated efflux in cells.