Dtxcid605538

Base Information Edit

Chemical Name:Dtxcid605538
CAS No.:6112-76-1
Molecular Formula:C5H4N4S.H2O
Molecular Weight:170.195
Hs Code.:29335995
DSSTox Substance ID:DTXSID9025538
ChEMBL ID:CHEMBL1495381
Mol file:6112-76-1.mol

Synonyms:DTXSID9025538;DTXCID605538;CHEMBL1495381;Tox21_200994;NCGC00258547-01;CAS-6112-76-1

Suppliers and Price of Dtxcid605538

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
6-Mercaptopurine Monohydrate
2.5g
$ 403.00

TRC
6-Mercaptopurine monohydrate
1g
$ 50.00

TCI Chemical
6-Mercaptopurine Monohydrate >98.0%(HPLC)(T)
5g
$ 65.00

TCI Chemical
6-Mercaptopurine Monohydrate >98.0%(HPLC)(T)
1g
$ 23.00

SynQuest Laboratories
6-Mercaptopurine monohydrate
5 g
$ 24.00

SynQuest Laboratories
6-Mercaptopurine monohydrate
25 g
$ 64.00

Sigma-Aldrich
Mercaptopurine Pharmaceutical Secondary Standard; Certified Reference Material
1g
$ 169.00

Sigma-Aldrich
Mercaptopurine United States Pharmacopeia (USP) Reference Standard
500mg
$ 366.00

Sigma-Aldrich
6-Mercaptopurine monohydrate 98%
5 g
$ 80.30

Sigma-Aldrich
6-Mercaptopurine monohydrate 98%
5g-a
$ 78.40

Total 141 raw suppliers

Chemical Property of Dtxcid605538 Edit

Chemical Property:

Appearance/Colour:white to light yellow crystal powder
Vapor Pressure:2.72E-09mmHg at 25°C
Melting Point:313 °C
Boiling Point:490.6oC at 760 mmHg
Flash Point:250.5oC
PSA：98.68000
LogP:0.95120
Storage Temp.:Store at 0-5
Solubility.:INSOLUBLE
Water Solubility.:INSOLUBLE
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:172.04188206
Heavy Atom Count:11
Complexity:222

Purity/Quality:

99% ^*data from raw suppliers

6-Mercaptopurine Monohydrate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn, Xi
Hazard Codes:Xn,Xi
Statements: 22-36/37/38-63-20/21/22
Safety Statements: 22-36/37/39-45-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=NC2C(N1)C(=S)NC=N2.O
Description 6-Mercaptopurine (6-MP) is an inhibitor of purine synthesis and interconversion. It is rapidly converted to 6-mercaptopurine ribonucleoside-5''-monophosphate, which inhibits phosphoribosyl pyrophosphate (PRPP) amidotransferase, the rate-limiting enzyme in purine synthesis. It also inhibits the conversion of IMP to adenylosuccinic acid and xanthylic acid and blocks AMP formation in vitro. 6-MP (30 mg/kg) inhibits growth of sarcoma 180, adenocarcinoma E 0771, and adenocarcinoma 755 tumors and reduces the size of leukemia L1210 subcutaneous growths in mice. It also decreases delayed-type hypersensitivity and thyroid inflammation in a guinea pig model of thyroiditis when administered pre- or post-disease onset. Formulations containing mercaptopurine have been used for maintenance therapy in patients with acute lymphoblastic leukemia.
Uses An immunosuppressive drug used to treat leukemia. It is also used for pediatric non-Hodgkin lymphoma, polycythemia vera, and psoriatic arthritis An immunosuppressive drug used to treat leukemia. It is also used for pediatric non-Hodgkin’s lymphoma, polycythemia vera, and psoriatic arthritis. antihypertensive, ACE inhibitor
Indications Mercaptopurine (Purinethol) is an analogue of hypoxanthine and was one of the first agents shown to be active against acute leukemias. It is now used as part of maintenance therapy in acute lymphoblastic leukemia. Mercaptopurine must be activated to a nucleotide by the enzyme HGPRTase. This metabolite is capable of inhibiting the synthesis of the normal purines adenine and guanine at the initial aminotransferase step and inhibiting the conversion of inosinic acid to the nucleotides adenylate and guanylate at several steps. Some mercaptopurine is also incorporated into DNA in the form of thioguanine. The relative significance of these mechanisms to the antitumor action of mercaptopurine is not clear. Resistance to mercaptopurine may be a result of decreased drug activation by HGPRTase or increased inactivation by alkaline phosphatase. The plasma half-life of an intravenous bolus injection of mercaptopurine is 21 minutes in children and 47 minutes in adults. After oral administration, peak plasma levels are attained within 2 hours. The drug is 20% bound to plasma proteins and does not enter the CSF. Xanthine oxidase is the primary enzyme involved in the metabolic inactivation of mercaptopurine. Mercaptopurine is used in the maintenance therapy of acute lymphoblastic leukemia. It also displays activity against acute and chronic myelogenous leukemias. The major toxicities of mercaptopurine are myelosuppression, nausea, vomiting, and hepatic toxicity.
Clinical Use Mercaptopurine is used in the treatment of acute lymphatic and myelogenous leukemias.
Drug interactions Potentially hazardous interactions with other drugs Allopurinol: decreased rate of metabolism of mercaptopurine - reduce dose of mercaptopurine to a quarter of normal dose. Antibacterials: increased risk of haematological toxicity with co-trimoxazole and trimethoprim. Anticoagulants: possibly reduced anticoagulant effect of coumarins. Antipsychotics: avoid with clozapine (increased risk of agranulocytosis). Febuxostat: avoid concomitant use.

Technology Process of Dtxcid605538

There total 2 articles about Dtxcid605538 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 83.28%