BAU

1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE

Created:	2004-08-09
Last modified:	2011-06-04

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4 entries where BAU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	12

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Chemical Component Summary
Name	1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE
Systematic Name (OpenEye OEToolkits)	1-(2-hydroxyethoxymethyl)-5-(phenylmethyl)pyrimidine-2,4-dione
Formula	C₁₄ H₁₆ N₂ O₄
Molecular Weight	276.288
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1C(=CN(C(=O)N1)COCCO)Cc2ccccc2
SMILES	CACTVS	3.341	OCCOCN1C=C(Cc2ccccc2)C(=O)NC1=O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO
Canonical SMILES	CACTVS	3.341	OCCOCN1C=C(Cc2ccccc2)C(=O)NC1=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO
InChI	InChI	1.03	InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19)
InChIKey	InChI	1.03	SPJAGILXQBHHSZ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07437
Name	5-Benzylacyclouridine
Groups	experimental
Synonyms	5-Benzylacyclouridine 5-benzyl-1-(2-hydroxyethoxymethyl)uracil 5-Bacu
Categories	Enzyme Inhibitors Pyrimidines Pyrimidinones Uridine Phosphorylase, antagonists & inhibitors
CAS number	82857-69-0

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Uridine phosphorylase	MSKSDVFHLGLTKNDLQGATLAIVPGDPDRVEKIAALMDKPVKLASHREF...	unknown
Uridine phosphorylase 1	MAATGANAEKAESHNDCPVRLLNPNIAKMKEDILYHFNLTTSRHNFPALF...	unknown

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