mercaptopurine (CAS 50-44-2) — formula C5H4N4S, molecular weight 152.18; category organic chemicals.
Documented applications: Uses: MEDICATION, MEDICATION (VET), Mercaptopurine tablets are indicated for maintenance therapy of acute lymphatic (lymphocytic, lymophoblastic) leukemia as part of a combination regimen. The response to this agent depends upon the particular subclassification of acute lymphatic leukemia and the age of the patient (pediatric or adult). Mercaptopurine is not effective prophylaxis or treatment of central nervous system leukemia. Mercaptopurine is not effective in acute myelogenous leukemia, chronic lymphatic leukemia, the lymphomas (including Hodgkins Disease), or solid tumors., Included in US product label, MEDICATION (VET): Rarely used in veterinary medicine. Veterinary uses of mercaptopurine have included adjunctive therapy of lymphosarcoma, acute leukemias, and severe rheumatoid arthritis. It may have potential benefit in treating other autoimmune conditions (eg, unresponsive ulcerative colitis) as well., Antimetabolites, Antineoplastic, Immunosuppressive Agents, Nucleic Acid Synthesis Inhibitors, Methods of Manufacturing: In the original and most simple synthesis, hypoxanthine is heated with an excess of phosphorous pentasulfide for several hours at 200 °C in, e.g., tetralin as the solvent., Preparation from 7-aminothiazolo[5, 4-d]pyrimidine: G. H. Hitchings, G. B. Elion, United States of America patent 2721866 (1955 to Burroughs Wellcome)., 6-Chloropurine + sodium thiocyanate (dehydrochlorination) thiocyanate hydrolysis, Formulations, Preparations: Table: Mercaptopurine Preparations [Table#4501].
mercaptopurine is a carbon-based organic compound with CAS registry number 50-44-2 and molecular formula C5H4N4S (molecular weight 152.18), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 50-44-2
Its molecular formula C5H4N4S comprises 5 C, 4 H, 4 N, 1 S atoms.
Also known as: mercaptopurine · 6-mercaptopurine
Category: organic chemicals
The CAS registry number of mercaptopurine is 50-44-2.
Molecular formula C5H4N4S, molecular weight 152.18.
It is also registered under: mercaptopurine, 6-mercaptopurine.
Recorded applications: Uses: MEDICATION, MEDICATION (VET), Mercaptopurine tablets are indicated for maintenance therapy of acute lymphatic (lymphocytic, lymophoblastic) leukemia as part of a combination regimen. The response to this agent depends upon the particular subclassification of acute lymphatic leukemia and the age of the patient (pediatric or adult). Mercaptopurine is not effective prophylaxis or treatment of central nervous system leukemia. Mercaptopurine is not effective in acute myelogenous leukemia, chronic lymphatic leukemia, the lymphomas (including Hodgkins Disease), or solid tumors., Included in US product label, MEDICATION (VET): Rarely used in veterinary medicine. Veterinary uses of mercaptopurine have included adjunctive therapy of lymphosarcoma, acute leukemias, and severe rheumatoid arthritis. It may have potential benefit in treating other autoimmune conditions (eg, unresponsive ulcerative colitis) as well., Antimetabolites, Antineoplastic, Immunosuppressive Agents, Nucleic Acid Synthesis Inhibitors, Methods of Manufacturing: In the original and most simple synthesis, hypoxanthine is heated with an excess of phosphorous pentasulfide for several hours at 200 °C in, e.g., tetralin as the solvent., Preparation from 7-aminothiazolo[5, 4-d]pyrimidine: G. H. Hitchings, G. B. Elion, United States of America patent 2721866 (1955 to Burroughs Wellcome)., 6-Chloropurine + sodium thiocyanate (dehydrochlorination) thiocyanate hydrolysis, Formulations, Preparations: Table: Mercaptopurine Preparations [Table#4501].
Category: Organic Chemicals.
Public-database records for mercaptopurine (CAS 50-44-2), reproduced here for independent cross-checking.
| Reported hazard statements | H301 (87.5%), H302 (10.4%), H361 (12.5%), H340, H360, H370, H372, H315 |
|---|
H301 (87.5%): Toxic if swallowed [Danger Acute toxicity, oral]
H302 (10.4%): Harmful if swallowed [Warning Acute toxicity, oral]
| 熔点 | 313 |
|---|---|
| 熔点 | 308 °C (decomposes) |
| 熔点 | 313 °C |
| 溶解度 | 68500 |
| 溶解度 | In water, 6848 mg/L at 30 °C |
| 溶解度 | 7.35e-01 g/L |
| LogP | 0.01 |
| LogP | -0.4 |
| CAS Registry Number | 50-44-2 |
|---|---|
| PubChem CID | 667490 |
| 分子式 | C5H4N4S |
| IUPAC 名称 | 3,7-dihydropurine-6-thione |
| UNII（FDA） | PKK6MUZ20G |
6-Mercaptopurine; mercaptopurine; 50-44-2; Mercapurin; 6-Thiopurine; 6-Thioxopurine; 9H-Purine-6-thiol; 6-Mercaptopurin; Puri-Nethol; 6-Thiohypoxanthine; 1,9-dihydro-6H-purine-6-thione; Mercaptopurin; 3,7-dihydropurine-6-thione; Hypoxanthine, thio-; 1,7-Dihydro-6H-purine-6-thione; Mercaptopurina
| 分子量 | 152.18 |
|---|---|
| XLogP3 | 0 |
| 氢键供体数 | 2 |
| 氢键受体数 | 2 |
| 可旋转键数 | 0 |
| 精确质量 | 152.01566732 |
| 单同位素质量 | 152.01566732 |
| 拓扑极性表面积 | 85.2 |
| 重原子数 | 10 |
| 形式电荷 | 0 |
mercaptopurine · CAS 50-44-2 · C5H4N4S. UNII PKK6MUZ20G. 熔点: 313; 熔点: 308 °C (decomposes); 熔点: 313 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.