mercaptopurine

CAS 50-44-2C5H4N4SMW 152.18

mercaptopurine（CAS 50-44-2）：分子式 C5H4N4S、分子量 152.18；类别有机化学品。

规格参数

CAS号50-44-2

分子式C5H4N4S

分子量152.18

熔点313

LogP0.01

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]

类别Organic Chemicals

用途与场景

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]。

采购档案

这个产品是什么

mercaptopurine 是一种以碳骨架为基础的有机化合物，登记 CAS 号为 50-44-2，分子式 C5H4N4S（分子量 152.18），归属于有机化学品大类化工原料。

识别信息

登记 CAS 号：50-44-2

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：mercaptopurine · 6-mercaptopurine

所属分类：有机化学品

常见问题

mercaptopurine 的 CAS 号是多少？

mercaptopurine 的 CAS 登记号为 50-44-2。

mercaptopurine 的分子式与分子量是多少？

分子式 C5H4N4S，分子量 152.18。

mercaptopurine 还有哪些别名？

别名/同义词：mercaptopurine、6-mercaptopurine。

mercaptopurine 的登记用途是什么？

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]。

mercaptopurine 属于哪个分类？

所属分类：Organic Chemicals。

PubChem 公开数据

mercaptopurine（CAS 50-44-2）的公开数据库记录，列此仅供独立核对。

危险化学品分类与危害说明

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]

物理形态与操作说明

Solid
Yellow crystalline powder
Yellow prisms from water (+1 water)
Dark yellow /Mercaptopurine hydrate/
Nearly odorless
Insoluble in water

公开数据库收录的理化数据

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

这个物质在各数据库里的编号

CAS Registry Number	50-44-2
PubChem CID	667490
分子式	C5H4N4S
IUPAC 名称	3,7-dihydropurine-6-thione
UNII（FDA）	PKK6MUZ20G

数据库记载的用途

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; Antimetabolites, Antineoplastic; Immunosuppressive Agents; Nucleic Acid Synthesis Inhibitors
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
For remission induction and maintenance therapy of acute lymphatic leukemia.

它在各数据库里的别名

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

计算机算出的分子描述符

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

数据库摘要

mercaptopurine · CAS 50-44-2 · C5H4N4S. UNII PKK6MUZ20G. 熔点: 313; 熔点: 308 °C (decomposes); 熔点: 313 °C.

数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。