MXD

6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE

Created:	2005-11-11
Last modified:	2020-06-05

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2 entries where MXD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	6

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Chemical Component Summary
Name	6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE
Synonyms	MINOXIDIL
Systematic Name (OpenEye OEToolkits)	3-oxido-6-piperidin-1-yl-pyrimidin-3-ium-2,4-diamine
Formula	C₉ H₁₅ N₅ O
Molecular Weight	209.248
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[O-][n+]1c(nc(cc1N)N2CCCCC2)N
SMILES	CACTVS	3.341	Nc1cc(nc(N)[n+]1[O-])N2CCCCC2
SMILES	OpenEye OEToolkits	1.5.0	c1c([n+](c(nc1N2CCCCC2)N)[O-])N
Canonical SMILES	CACTVS	3.341	Nc1cc(nc(N)[n+]1[O-])N2CCCCC2
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1c([n+](c(nc1N2CCCCC2)N)[O-])N
InChI	InChI	1.03	InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)
InChIKey	InChI	1.03	ZFMITUMMTDLWHR-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB00350
Name	Minoxidil
Groups	approved investigational
Description	A potent direct-acting peripheral vasodilator (vasodilator agents) that reduces peripheral resistance and produces a fall in blood pressure.
Synonyms	6-Piperidin-1-ylpyrimidine-2,4-diamine 3-oxide Minoxidilum Minoxidil sulfate Minossidile Minoxidil 2,4-Diamino-6-piperidinopyrimidine 3-oxide
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Indication	For the treatment of severe hypertension and in the topical treatment (regrowth) of androgenic alopecia in males and females and stabilisation of hair loss in patients with androgenic alopecia.
Categories	Antihypertensive Agents Antihypertensive Agents Indicated for Hypertension Arteriolar Smooth Muscle, Agents Acting On Arteriolar Vasodilation Arteriolar Vasodilator Cardiovascular Agents Dermatologicals Direct Vasodilators Hypotensive Agents Misc. Skin and Mucous Membrane Agents Piperidines Potassium Channel Opener Pyrimidine Derivatives Pyrimidines UGT1A1 Substrates Vasodilating Agents
ATC-Code	D11AX01 C02DC01
CAS number	38304-91-5

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
ATP-sensitive inward rectifier potassium channel 1	MNASSRNVFDTLIRVLTESMFKHLRKWVVTRFFGHSRQRARLVSKDGRCN...	unknown	inducer
Renin	MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERG...	unknown
Prostaglandin G/H synthase 1	MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFG...	unknown	inducer
UDP-glucuronosyltransferase 1-1	MAVESQGGRPLVLGLLLCVLGPVVSHAGKILLIPVDGSHWLSMLGAIQQL...	unknown	substrate

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