CAS Number131707-23-8
SynonymsArbidol Hydrochloride; 1-methyl-2-phenylthiomethyl-3-carbethoxy-4-dimethylaminomethyl-5-oxy-6-bromindol hydrochloride; Arbidol Hydrochloride Hydrate; arbidol hydrogen chloride; umifenovir hydrogen chloride; Arbidol HCl; MFCD00333871; Arbidol; umifenovir hydrochloride; Arbidol (hydrochloride)
Molecular FormulaC22H26BrClN2O3S
Molecular Weight513.88
Purity≥98 (HPLC)%
Boiling Point591.8ºC at 760 mmHg
Melting Point133-137ºC
Appearancepowder
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 131707-23-8 |
| Catalog No. | 2A-9052121 |
| Chinese Name | 盐酸阿比朵尔 |
| Synonyms | Arbidol Hydrochloride; 1-methyl-2-phenylthiomethyl-3-carbethoxy-4-dimethylaminomethyl-5-oxy-6-bromindol hydrochloride; Arbidol Hydrochloride Hydrate; arbidol hydrogen chloride; umifenovir hydrogen chloride; Arbidol HCl; MFCD00333871; Arbidol; umifenovir hydrochloride; Arbidol (hydrochloride) |
| Molecular Formula | C22H26BrClN2O3S |
| Molecular Weight | 513.88 |
| Purity | ≥98 (HPLC) |
| Boiling Point | 591.8ºC at 760 mmHg |
| Melting Point | 133-137ºC |
| Appearance | powder |
| Storage Condition | Hygroscopic, Refrigerator, Under Inert Atmosphere |
| Application | Arbidol (Umifenovir) hydrochloride is a broad-spectrum antiviral compound that can inhibit the entry of packaged viruses into cells by blocking the fusion of viruses and host cells. |
| HTC | 2933990090 |
| SMILES | S(Cc2[n](c3c(c(c(c(c3)Br)O)CN(C)C)c2C(=O)OCC)C)c1ccccc1.[Cl-].O.[H+] |
| InChI | 1S/C22H25BrN2O3S.ClH.H2O/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;1H2 |
| InChI Key | PLWQHPWNKPKQJT-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| Hazard Symbols | transportation |
| MSDS | msds/52121_1_131707_23_8.pdf |
| Bioactivity | Arbidol (Umifenovir) hydrochloride is an broad-spectrum antiviral chemical agent which can inhibit cell entry of enveloped viruses by blocking viral fusion with host cell membraneIC50 value:Target: Antiviral; Anti-influenza agentin vitro: Arbidol was found to present potent inhibitory activity against enveloped and non-enveloped RNA viruses, including FLU-A, RSV, HRV 14 and CVB3 when added before, during, or after viral infection, with 50% inhibitory concentration (IC50) ranging from 2.7 to 13.8 microg/ml.However, arbidol showed selective antiviral activity against AdV-7, a DNA virus, only when added after infection (therapeutic index (TI) = 5.5) [1]. Arb interacts with the polar head-group of phospholipid at the membrane interface. Fluorescence studies of interactions between Arb and either tryptophan derivatives or membrane peptides reconstituted into liposomes show that Arb interacts with tryptophan in the micromolar range. Interestingly, apparent binding affinities between lipids and tryptophan residues are comparable with those of Arb IC50 of the hepatitis C virus (HCV) membrane fusion [2]. Arbidol not only prevented the cytopathic effect (CPE) of CVB(5), as demonstrated in an MTT colorimetric assay, when added during or after viral infection, with a 50% inhibitory concentration (IC(50)) from 2.66 to 6.62 microg/ml, but it also decreased the CVB(5)-RNA level in infected host cells, as shown in semi-quantitative RT-PCR [3].in vivo: Orally administered arbidol at 50 or 100 mg/kg/day beginning 24 h pre-virus exposure for 6 days significantly reduced mean pulmonary virus yields and the rate of mortality in mice infected with FLU-A (A/PR/8/34 H1N1) [1]. BALB/c mice were used as an animal model to test the Arbidol activity in vivo. Orally administered Arbidol at 50 mg/kg body weight/day (once a day) significantly reduced mean virus yields in the lungs and heart as well as mortality after infection for 6 days [3]. Related Catalog Signaling Pathways >> Anti-infection >> Influenza Virus Research Areas >> Infection References [1]. Shi L, et al. Antiviral activity of arbidol against influenza A virus, respiratory syncytial virus, rhinovirus, coxsackie virus and adenovirus in vitro and in vivo. Arch Virol. 2007;152(8):1447-55. [2]. Teissier E, et al. Mechanism of inhibition of enveloped virus membrane fusion by the antiviral drug arbidol. PLoS One. 2011 Jan 25;6(1):e15874. [3]. Zhong Q, et al. Antiviral activity of Arbidol against Coxsackie virus B5 in vitro and in vivo. Arch Virol. 2009;154(4):601-7. Chemical & Physical Properties Boiling Point 591.8ºC at 760 mmHg Melting Point 133-137ºC Molecular Formula C22H26BrClN2O3S Molecular Weight 513.875 Flash Point 311.7℃ Exact Mass 512.053589 PSA 80.00000 LogP 5.97900 Vapour Pressure 1.34E-14mmHg at 25°C InChIKey OMZHXQXQJGCSKN-UHFFFAOYSA-N SMILES CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12.Cl Storage condition Hygroscopic, Refrigerator, Under Inert Atmosphere Stability Hygroscopic |
| Use of | Properties Articles23 Name ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate,hydrochloride Synonym More Synonyms Arbidol HCl Biological Activity Related Catalog Signaling Pathways >> Anti-infection >> Influenza Virus Research Areas >> Infection References [1]. Shi L, et al. Antiviral activity of arbidol against influenza A virus, respiratory syncytial virus, rhinovirus, coxsackie virus and adenovirus in vitro and in vivo. Arch Virol. 2007;152(8):1447-55. [2]. Teissier E, et al. Mechanism of inhibition of enveloped virus membrane fusion by the antiviral drug arbidol. PLoS One. 2011 Jan 25;6(1):e15874. [3]. Zhong Q, et al. Antiviral activity of Arbidol against Coxsackie virus B5 in vitro and in vivo. Arch Virol. 2009;154(4):601-7. Chemical & Physical Properties Molecular Formula C22H26BrClN2O3S Exact Mass 512.053589 PSA 80.00000 LogP 5.97900 InChIKey OMZHXQXQJGCSKN-UHFFFAOYSA-N Storage condition Hygroscopic, Refrigerator, Under Inert Atmosphere Stability Hygroscopic |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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