Xanthinol Nicotinate structure
|
Common Name | Xanthinol Nicotinate | ||
|---|---|---|---|---|
| CAS Number | 437-74-1 | Molecular Weight | 434.446 | |
| Density | N/A | Boiling Point | 589.3ºC at 760 mmHg | |
| Molecular Formula | C19H26N6O6 | Melting Point | 180-184ºC | |
| MSDS | N/A | Flash Point | 310.2ºC | |
Use of Xanthinol NicotinateXanthinol Nicotinate (Xanthinol Niacinate), a vasodilator, can act directly on the smooth muscle of small arteries and capillaries. Xanthinol Nicotinate expands blood vessels, improves blood rheology and reduces peripheral vascular resistance[1][2]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Xanthinol Nicotinate (Xanthinol Niacinate), a vasodilator, can act directly on the smooth muscle of small arteries and capillaries. Xanthinol Nicotinate expands blood vessels, improves blood rheology and reduces peripheral vascular resistance[1][2]. |
|---|---|
| Related Catalog | |
| In Vitro | Xanthinol Nicotinate (Xanthinol Niacinate; 2.76-276 µM; for 24 hours) inhibits HUASMC proliferation in a dose-dependent manner[2]. Xanthinol Nicotinate (2.76-276 µM; for 24 hours) dose-dependently decreases the PDGFR mRNA and PDGFR-β levels on the cell membranes of HUASMCs[2]. Cell Proliferation Assay[2] Cell Line: human umbilical artery smooth muscle cell (HUASMC) Concentration: 2.76, 27.6 or 276 µM Incubation Time: for 24 hours Result: Inhibited HUASMC proliferation in a dose-dependent manner. Western Blot Analysis[2] Cell Line: HUASMC Concentration: 2.76, 27.6 or 276 µM Incubation Time: for 24 hours Result: Dose-dependently decreased the PDGFR mRNA and PDGFR-β levels on the cell membranes of HUASMCs. |
| In Vivo | Xanthinol Nicotinate (Xanthinol Niacinate; 75 mg/kg; IP) rapidly and transiently modifies tumor pO2 and the maximal pO2 values are obtained 10 to 30 minutes after Xanthinol Nicotinate administration[1]. Xanthinol Nicotinate is able to radiosensitize the tumors when applying 10 Gy of X-Rays during the reoxygenation of the tumors (enhancement in radiation response of 1.4)[1]. Animal Model: 5 week-old male NMRI mice[1] Dosage: 75 mg/kg Administration: IP Result: Rapidly and transiently modified tumor pO2 and Maximal pO2 values were obtained 10 to 30 minutes after XN administration. |
| 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 | 589.3ºC at 760 mmHg |
|---|---|
| Melting Point | 180-184ºC |
| Molecular Formula | C19H26N6O6 |
| Molecular Weight | 434.446 |
| Flash Point | 310.2ºC |
| Exact Mass | 434.191376 |
| PSA | 155.71000 |
| Vapour Pressure | 9.89E-15mmHg at 25°C |
| InChIKey | GEPMAHVDJHFBJI-UHFFFAOYSA-N |
| SMILES | CN(CCO)CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.O=C(O)c1cccnc1 |
| Storage condition | -20℃ |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
|
Material Safety Data Sheet
Section1. Identification of the substance Product Name: Xanthinol nicotinate Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:Xanthinol nicotinate CAS number:437-74-1 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Store in closed vessels. Storage: Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data No data Melting point: Flash point:No data Density:No data Molecular formula:C13H21N5O4.C6H5NO2 Molecular weight:434.5 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
|
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| WGK Germany | 2 |
|---|---|
| RTECS | QT1500000 |
| HS Code | 2933990090 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
|
|
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
|
|
Name: Antibacterial activity against Staphylococcus aureus MRSA ATCC 43300 (CO-ADD:GP_020);...
Source: ChEMBL
Target: Staphylococcus aureus
External Id: CHEMBL4296184
|
|
Name: Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); ...
Source: ChEMBL
Target: Klebsiella pneumoniae
External Id: CHEMBL4296186
|
|
Name: Antibacterial activity against Escherichia coli ATCC 25922 (CO-ADD:GN_001); MIC in CA...
Source: ChEMBL
Target: Escherichia coli
External Id: CHEMBL4296185
|
|
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
|
|
Name: MITF Measured in Cell-Based System Using Plate Reader - 2084-01_Activator_SinglePoint...
Source: Broad Institute
Target: N/A
External Id: 2084-01_Activator_SinglePoint_HTS_Activity
|
|
Name: Counterscreen for inhibitors of the fructose-bisphosphate aldolase (FBA) of M. tuberc...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: GDH-TPI_INH_ABS_1536_1X%INH CSRUN
|
|
Name: qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity
Source: NCGC
External Id: HERG01
|
|
Name: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen
Source: NCGC
Target: N/A
External Id: SMAD3201
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Nicotinic acid - 7-{2-hydroxy-3-[(2-hydroxyethyl)(methyl)amino]propyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (1:1) |
| 7-[3-[N-(2-Hydroxyethyl)amino]-2-hydroxypropyl]theophylline nicotinate |
| Teonicol |
| Xanthinol Niacinate |
| Xantinol nicotinate |
| SK 331-A |
| Angioamin |
| Xantinol Niacinate |
| Complamex |
| EINECS 207-115-7 |
| Xanthinolnicotinat |
| Sadamine |
| 3-Pyridinecarboxylic acid, compd. with 3,7-dihydro-7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]-1,3-dimethyl-1H-purine-2,6-dione (1:1) |
| Landrina |
| 3-Pyridinecarboxylic acid, compd. with 3,7-dihydro-7-(2-hydroxy-3-((2-hydroxyethyl)methylamino)propyl)-1,3-dimethyl-1H-purine-2,6-dione (1:1) |
| Xanthinol nicotinate |
| Contamex |
| MFCD00058342 |
| Xavin |
| Stenalgil |
| 3-Pyridinecarboxylic acid compd with 3,7-dihydro-7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]-1,3-dimethyl-1H-purine-2,6-dione (1:1) |
| 7-[2-Hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]theophylline compd with nicotinic acid |
| Complamin |
| pyridine-3-carboxylic acid - 7-{2-hydroxy-3-[(2-hydroxyethyl)(methyl)amino]propyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (1:1) |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the melting point of 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid? |
| A: Melting point of 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid is 180-184ºC. |
| Q: What is the polar surface area (PSA) of 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid? |
| A: Polar surface area (PSA) of 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid is 155.71000. |
| Q: What is the molecular formula of 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid? |
| A: Molecular formula of 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid is C19H26N6O6. |
| Q: What are the uses of 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid? |
| A: Main uses of 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid: Xanthinol Nicotinate (Xanthinol Niacinate), a vasodilator, can act directly on the smooth muscle of small arteries and capillaries. Xanthinol Nicotinate expands blood vessels, improves blood rheology and reduces peripheral vascular resistance[1][2]. |
| Q: What is the CAS number of 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid? |
| A: CAS number of 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid is 437-74-1. |
| Q: What is the boiling point of 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid? |
| A: Boiling point of 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid is 589.3ºC at 760 mmHg. |
| Q: What is the English name of 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid? |
| A: The English name of 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid is 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid. |
| Q: What are the storage conditions for 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid? |
| A: Storage conditions for 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid: -20℃. |
| Q: What is the SMILES notation of 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid? |
| A: SMILES notation of 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid is CN(CCO)CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.O=C(O)c1cccnc1. |
| Q: What is the InChIKey of 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid? |
| A: InChIKey of 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione,pyridine-3-carboxylic acid is GEPMAHVDJHFBJI-UHFFFAOYSA-N. |
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. |