Hydroxychloroquine sulfate structure
|
Common Name | Hydroxychloroquine sulfate | ||
|---|---|---|---|---|
| CAS Number | 747-36-4 | Molecular Weight | 433.950 | |
| Density | N/A | Boiling Point | 516.7ºC at 760 mmHg | |
| Molecular Formula | C18H28ClN3O5S | Melting Point | 240 °C | |
| MSDS | Chinese USA | Flash Point | 266.3ºC | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Use of Hydroxychloroquine sulfateHydroxychloroquine sulfate is a synthetic antimalarial drug which can also inhibit Toll-like receptor 7/9 (TLR7/9) signaling. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Hydroxychloroquine sulfate |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Hydroxychloroquine sulfate is a synthetic antimalarial drug which can also inhibit Toll-like receptor 7/9 (TLR7/9) signaling. |
|---|---|
| Related Catalog | |
| Target |
Antimalarial[1], TLR7/9[2] |
| In Vitro | Hydroxychloroquine sulfate is a synthetic antimalarial drug derived from 4-aminoquinoline; it has been used for several decades for the treatment of some rheumatic diseases such as rheumatoid arthritis (RA)[1]. Five micromolar Hydroxychloroquine sulfate or chloroquine also has no measurable effect on intracellular pH, although these concentrations can inhibit TLR9 or 7 signaling induced by DNA or RNA ligands[2]. |
| In Vivo | Hydroxychloroquine sulfate is prescribed for the treatment of lupus, and both Hydroxychloroquine sulfate and its analog chloroquine inhibit TLR7 and 9 signaling[2]. |
| Kinase Assay | Five microliters of a solution of 2% L-α-phosphatidylcholine in dodecane is deposited per well on membranes of a 96-well plate. AT791 (10 µM), E6446 (10 µM), Hydroxychloroquine sulfate (40 µM), or chloroquine (40 µM) are added to one of the two compartments in pH 5.5 buffer (50 mM NaAce, 15 mM NaCl) or pH 7.4 buffer (50 mM KPO4, 150 mM NaCl), and the plate is incubated at 37°C. The next day, compound concentrations in both chambers are quantitated. In one variation of this experiment, 5 µM AT791 or E6446 is added to both chambers, one of which contains pH 5.5 buffer and the other pH 7.4 buffer. The redistribution of compound between the two chambers is monitored for 8 hours[2]. |
| Animal Admin | MRL/lpr mice are dosed orally five times a week with 20 or 60 mg/kg E6446 or 60 mg/kg Hydroxychloroquine sulfate beginning at 5 weeks of age. Cytoxan is administered at 50 mg/kg i.p. every 10 days. A serum sample is taken immediately before the beginning of treatment to monitor changes in autoreactive antibodies. Subsequently, serum samples are collected approximately monthly and analyzed for anti-dsDNA by ELISA after 1:500 dilution. Body weights and urine samples are taken at the same interval, and proteinuria is assessed. Anti-nuclear antibodies (ANA) are assessed using commercially available HEp2 slide kits, with serum diluted to 1:100 in kit buffer. ANA scores are read blinded[2]. |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Boiling Point | 516.7ºC at 760 mmHg |
|---|---|
| Melting Point | 240 °C |
| Molecular Formula | C18H28ClN3O5S |
| Molecular Weight | 433.950 |
| Flash Point | 266.3ºC |
| Exact Mass | 433.143829 |
| PSA | 131.37000 |
| LogP | 4.28400 |
| InChIKey | JCBIVZZPXRZKTI-UHFFFAOYSA-N |
| SMILES | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O |
| Storage condition | Refrigerator |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H302-H319 |
| Precautionary Statements | P280-P301 + P312 + P330-P305 + P351 + P338-P337 + P313 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi: Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | 37/39-26 |
| RIDADR | 3276 |
| WGK Germany | 3 |
| RTECS | KK3342500 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 2933499090 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933499090 |
|---|---|
| Summary | 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Hydroxychloroquine-inhibited dengue virus is associated with host defense machinery.
J. Interferon Cytokine Res. 35(3) , 143-56, (2015) Hydroxychloroquine (HCQ) is an antimalarial drug also used in treating autoimmune diseases. Its antiviral activity was demonstrated in restricting HIV infection in vitro; however, the clinical implica... |
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A new trick for an ancient drug: quinine dissociates antiphospholipid immune complexes.
Lupus 24(1) , 32-41, (2014) Quinine, a quinoline derivative, is an ancient antipyretic drug with antimalarial properties that has been phased out by more effective synthetic candidates. In previous studies we discovered that hyd... |
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Profound symptomatic hypogammaglobulinemia: a rare late complication after rituximab treatment for immune thrombocytopenia. Report of 3 cases and systematic review of the literature
Autoimmun. Rev. 13(10) , 1055-63, (2014) Introduction B-cell depletion with rituximab (RTX) is widely used to treat autoimmune diseases, especially as second-line therapy for immune thrombocytopenia (ITP). The incidence of RTX-induced hypoga... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-[{4-[(7-Chloro-4-quinolinyl)amino]pentyl}(ethyl)amino]ethanol sulfate (1:1) |
| 2-[{4-[(7-Chlorchinolin-4-yl)amino]pentyl}(ethyl)amino]ethanolsulfat(salt) |
| EINECS 212-019-3 |
| Hydroxychloroquine Sulfate |
| Plaquenil |
| Ethanol, 2-[[4-[(7-chloro-4-quinolinyl)amino]pentyl]ethylamino]-, sulfate (1:1) (salt) |
| 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol,sulfuric acid |
| TCMDC-123987 |
| Hydroxychloroquine Sulphate |
| 2-[{4-[(7-Chloroquinolin-4-yl)amino]pentyl}(ethyl)amino]ethanol sulfate (1:1) |
| 2-[{4-[(7-chloroquinolin-4-yl)amino]pentyl}(ethyl)amino]ethanol sulfate (salt) |
| MFCD00078203 |
| Ercoquin |
| Quensyl |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the uses of Hydroxychloroquine sulfate? |
| A: Main uses of Hydroxychloroquine sulfate: Hydroxychloroquine sulfate is a synthetic antimalarial drug which can also inhibit Toll-like receptor 7/9 (TLR7/9) signaling. |
| Q: What is the English name of Hydroxychloroquine sulfate? |
| A: The English name of Hydroxychloroquine sulfate is Hydroxychloroquine sulfate. |
| Q: What is the molecular formula of Hydroxychloroquine sulfate? |
| A: Molecular formula of Hydroxychloroquine sulfate is C18H28ClN3O5S. |
| Q: What is the polar surface area (PSA) of Hydroxychloroquine sulfate? |
| A: Polar surface area (PSA) of Hydroxychloroquine sulfate is 131.37000. |
| Q: What is the LogP of Hydroxychloroquine sulfate? |
| A: LogP of Hydroxychloroquine sulfate is 4.28400. |
| Q: What is the SMILES notation of Hydroxychloroquine sulfate? |
| A: SMILES notation of Hydroxychloroquine sulfate is CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O. |
| Q: What is the safety information for Hydroxychloroquine sulfate? |
| A: Safety information for Hydroxychloroquine sulfate: 37/39-26. |
| Q: What is the InChIKey of Hydroxychloroquine sulfate? |
| A: InChIKey of Hydroxychloroquine sulfate is JCBIVZZPXRZKTI-UHFFFAOYSA-N. |
| Q: What is the melting point of Hydroxychloroquine sulfate? |
| A: Melting point of Hydroxychloroquine sulfate is 240 °C. |
| Q: What is the CAS number of Hydroxychloroquine sulfate? |
| A: CAS number of Hydroxychloroquine sulfate is 747-36-4. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |