6-巯基嘌呤一水合物（CAS 6112-76-1）：分子式 C5H4N4S、分子量 152.18。
| CAS号 | 6112-76-1 |
|---|---|
| 分子式 | C5H4N4S |
| 分子量 | 152.18 |
| 熔点 | 313 |
| LogP | 0.01 |
| 应用领域 | 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] |
登记用途：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]。
6-巯基嘌呤一水合物 是一种化工化合物，登记 CAS 号为 6112-76-1，分子式 C5H4N4S（分子量 152.18）。
登记 CAS 号：6112-76-1
其分子式 C5H4N4S 由 5 个碳、4 个氢、4 个氮、1 个硫 组成。
别名/同义词：6-巯基嘌呤一水合物 · 6-mercaptopurine monohydrate
6-巯基嘌呤一水合物 的 CAS 登记号为 6112-76-1。
分子式 C5H4N4S，分子量 152.18。
别名/同义词：6-巯基嘌呤一水合物、6-mercaptopurine monohydrate。
登记用途：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]。
6-巯基嘌呤一水合物（CAS 6112-76-1）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 6112-76-1 |
|---|---|
| PubChem CID | 667490 |
| Molecular formula | C5H4N4S |
| IUPAC name | 3,7-dihydropurine-6-thione |
| UNII (FDA) | PKK6MUZ20G |
| Molecular Weight | 152.18 |
|---|---|
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 152.01566732 |
| Monoisotopic Mass | 152.01566732 |
| Topological Polar Surface Area | 85.2 |
| Heavy Atom Count | 10 |
| Melting Point | 313 |
|---|---|
| Melting Point | 308 °C (decomposes) |
| Melting Point | 313 °C |
| Solubility | 68500 |
| Solubility | In water, 6848 mg/L at 30 °C |
| Solubility | 7.35e-01 g/L |
| LogP | 0.01 |
| LogP | -0.4 |
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
| 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]
6-mercaptopurine monohydrate · CAS 6112-76-1 · C5H4N4S. UNII PKK6MUZ20G. Melting Point: 313; Melting Point: 308 °C (decomposes); Melting Point: 313 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 6-mercaptopurine monohydrate