DX4

2-amino-1,9-dihydro-6H-purine-6-thione

Created:	2007-12-17
Last modified:	2024-09-27

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5 entries where DX4 is found as a standalone ligand1 entries where DX4 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	5

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Chemical Component Summary
Name	2-amino-1,9-dihydro-6H-purine-6-thione
Systematic Name (OpenEye OEToolkits)	2-amino-1,9-dihydropurine-6-thione
Formula	C₅ H₅ N₅ S
Molecular Weight	167.192
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	S=C1c2ncnc2N=C(N1)N
SMILES	CACTVS	3.341	NC1=Nc2[nH]cnc2C(=S)N1
SMILES	OpenEye OEToolkits	1.5.0	c1[nH]c2c(n1)C(=S)NC(=N2)N
Canonical SMILES	CACTVS	3.341	NC1=Nc2[nH]cnc2C(=S)N1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1[nH]c2c(n1)C(=S)NC(=N2)N
InChI	InChI	1.03	InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
InChIKey	InChI	1.03	WYWHKKSPHMUBEB-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB00352
Name	Tioguanine
Groups	approved
Description	An antineoplastic compound which also has antimetabolite action. The drug is used in the therapy of acute leukemia.
Synonyms	2-Amino-6-purinethiol Tioguanine 2-Amino-1,7-dihydro-6H-purine-6-thione 6-Mercapto-2-aminopurine 2-Amino-6-merkaptopurin Tioguanin Thioguanine 2-Aminopurin-6-thiol Thioguanine anhydrous 6-Thioguanine 6-TG Thioguanine, anhydrous TG 2-Aminopurine-6(1H)-thione 2-Amino 6MP Tioguaninum Tioguanina 2-amino-1,9-dihydropurine-6-thione 2-Amino-6-mercaptopurine 6-Mercaptoguanine 2-Aminopurine-6-thiol ThG
Brand Names	Tabloid Lanvis
Indication	For remission induction and remission consolidation treatment of acute nonlymphocytic leukemias.
Categories	Antimetabolites Antineoplastic Agents Antineoplastic and Immunomodulating Agents Heterocyclic Compounds, Fused-Ring Immunosuppressive Agents Myelosuppressive Agents Narrow Therapeutic Index Drugs Noxae Purine Analogues Purines Thiopurine Analogs Toxic Actions
ATC-Code	L01BB03
CAS number	154-42-7

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
DNA	-	unknown	intercalation
Hypoxanthine-guanine phosphoribosyltransferase	MATRSPGVVISDDEPGYDLDLFCIPNHYAEDLERVFIPHGLIMDRTERLA...	unknown	substrate
Multidrug resistance-associated protein 4	MLPVYQEVKPNPLQDANLCSRVFFWWLNPLFKIGHKRRLEEDDMYSVLPE...	unknown	inhibitor

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682