6-mercaptopurine monohydrate (CAS 6112-76-1) — formula C5H4N4S, molecular weight 152.18; category organic chemicals.
| CAS Number | 6112-76-1 |
|---|---|
| Molecular Formula | C5H4N4S |
| Molecular Weight | 152.18 |
| Melting Point | 313 |
| LogP | 0.01 |
| 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 |
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].
6-mercaptopurine monohydrate is a carbon-based organic compound with CAS registry number 6112-76-1 and molecular formula C5H4N4S (molecular weight 152.18), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6112-76-1
Its molecular formula C5H4N4S comprises 5 C, 4 H, 4 N, 1 S atoms.
Also known as: 6-mercaptopurine monohydrate · 6-巯基嘌呤一水合物
Category: organic chemicals
The CAS registry number of 6-mercaptopurine monohydrate is 6112-76-1.
Molecular formula C5H4N4S, molecular weight 152.18.
It is also registered under: 6-mercaptopurine monohydrate, 6-巯基嘌呤一水合物.
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.
Independent reference data for 6-mercaptopurine monohydrate (CAS 6112-76-1), compiled from public chemistry databases.
| 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 6-巯基嘌呤一水合物