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Arbidol

HCID 9958103
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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
131707-23-8
표준 SMILES
CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12.Cl
InChIKey
OMZHXQXQJGCSKN-UHFFFAOYSA-N
분자식
C22H26BrClN2O3S
평균 분자량
513.9 g/mol
단동위원소 질량
512.0536

이름 및 식별자

우선 이름
Arbidol
IUPAC
ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate;hydrochloride
영어명
Arbidol hydrochloride
분자식
C22H26BrClN2O3S
분자량
513.88

이름 및 동의어

131707-23-8RefChem:916116ArbidolArbidol HydrochlorideArbidol HClUmifenovir hydrochlorideEthyl 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate hydrochlorideC22H26BrClN2O3SMFCD00344795Arbidol HCl (Umifenovir)8CXV4OU3671H-Indole-3-carboxylic acid, 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-, ethyl ester, hydrochloride (1:1)
이름 더 보기
Umifenovir HClAbidolDoxetineAbiduoer.HCIArbidole HClyansuanabiduoerSoluble ArbidolArbidol hydrochlorid
ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate;hydrochlorideEthyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-1H-indole-3-carboxylate hydrochlorideUmifenovir (hydrochloride)s2120Umifenovir (hydrochloride) (Standard)ethyl 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-(phenylthiomethyl)-1H-indole-3-carboxylate hydrochlorideUNII-8CXV4OU3671H-INDOLE-3-CARBOXYLIC ACID, 6-BROMO-4-((DIMETHYLAMINO)METHYL)-5-HYDROXY-1-METHYL-2-((PHENYLTHIO)METHYL)-, ETHYL ESTER, HYDROCHLORIDE (1:1)

데이터베이스 식별자

CAS
131707-23-8
PubChem CID
9958103
ChEMBL
CHEMBL5179853
UNII
8CXV4OU367
EC Number
680-680-9

물성

구조 계산 물성

극성 표면적
80 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
5
회전 가능 결합 수
8
무거운 원자 수
30
형식 전하
0
복잡도
546

물리화학적 성질

녹는점
133 · 133-137C
저장 조건
-20 °C · -20°C
용해도
20 mg/mL · DMSO: 에 용해됨 20mg/mL 단백질, 투명
물리적 상태
가루
색상
흰색에서 베이지색
안정성
흡습성
InChI
InChI=1S/C22H25BrN2O3S.ClH/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3;/h6-11,26H,5,12-13H2,1-4H3;1H
InChIKey
OMZHXQXQJGCSKN-UHFFFAOYSA-N
SMILES
C(C1=C(N(C)C2=CC(Br)=C(O)C(CN(C)C)=C12)CSC1C=CC=CC=1)(=O)OCC.Cl

화학적 성질

Off White to Pale Yellow Solid

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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 CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
3
독성
guinea pig,LD50,oral,> 3gm/kg (3000mg/kg),Drugs of the Future. Vol. 17, Pg. 1079, 1992.
risk_code
36/38
hazard_code
Xi
safety_code
26
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요Umifenovir is a broad-spectrum antiviral agent. It inhibits the replication of H5N1 influenza (IC50 = 30 μg/ml) and severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) in vitro (IC50 = 3.537 μM). Umifenovir inhibits entry of hepatitis C virus (HCV) pseudoparticles in Huh7 cells (IC50 = 6 μg/ml) and inhibits Zika virus protein synthesis in Vero cells. In vivo, umifenovir (45 mg/kg) reduces the formation of influenza-induced lung lesions in ferrets.

용도Arbidol hydrochloride (ARB) is a small monocular compound. It is used to prevent severe pneumonia and virus-associated cytokine dysregulation induced by influenza viruses (IFV). ARB also possesses some immunomodulatory properties, including the effects of interferon induction and macrophage activation.Arbidol is a broad-spectrum antiviral that has demonstrated activity against a number of enveloped and non-enveloped viruses, and is used clinically to treat influenza. Arbidol inhibits viral entry into host cell and stimulates immune response. Arbidol inhibits fusion between the viral capsid and the cell membrane of the target cell, thus preventing viral entry.

상·하류 제품 정보

상류 원료

Ethyl 6-bromo-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate염산설파믹산Arbidol디메틸아민다이메틸아민 수화염화물포르말린

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