Basic Description

Synonyms	Vonoprazan (USAN/INN) \| {[5-(2-fluorophenyl)-1-(pyridine-3-sulfonyl)-1H-pyrrol-3-yl]methyl}(methyl)amine \| 1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonyl-pyrrol-3-yl]-~{N}-methyl-methanamine \| AC-36443 \| TAK-438 free base \| vonoprazanum \| 4-hydroxy-4'-metho
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of ATP4A

Associated Targets(Human)

ATP4A Tclin Potassium-transporting ATPase alpha chain 1 (0 Activities)

Discover Target: ATP4A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
INCHI	InChI=1S/C17H16FN3O2S/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14/h2-9,11-12,19H,10H2,1H3
InChi Key	BFDBKMOZYNOTPK-UHFFFAOYSA-N
Canonical SMILES	CNCc1cc(n(c1)S(=O)(=O)c1cccnc1)c1ccccc1F
Isomeric SMILES	CNCC1=CN(C(=C1)C2=CC=CC=C2F)S(=O)(=O)C3=CN=CC=C3
PubChem CID	15981397

Database links

PubChem CID	15981397
ChEMBL Ligand	CHEMBL2079130
DrugBank Ligand	DB11739
RCSB PDB Ligand	HKT

Certificates

Certificate of Analysis(COA)

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References

1. Arikawa Y, Nishida H, Kurasawa O, Hasuoka A, Hirase K, Inatomi N, Hori Y, Matsukawa J, Imanishi A, Kondo M et al.. (2012) Discovery of a novel pyrrole derivative 1-[5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine fumarate (TAK-438) as a potassium-competitive acid blocker (P-CAB).. J Med Chem, 55 (9): (4446-56). [PMID:22512618] [10.1021/op500134e]
2. Garnock-Jones KP. (2015) Vonoprazan: first global approval.. Drugs, 75 (4): (439-43). [PMID:25744862] [10.1021/op500134e]
3. Otake K, Sakurai Y, Nishida H, Fukui H, Tagawa Y, Yamasaki H, Karashima M, Otsuka K, Inatomi N. (2016) Characteristics of the Novel Potassium-Competitive Acid Blocker Vonoprazan Fumarate (TAK-438).. Adv Ther, 33 (7): (1140-57). [PMID:27287852] [10.1021/op500134e]
4. Scott DR, Munson KB, Marcus EA, Lambrecht NW, Sachs G. (2015) The binding selectivity of vonoprazan (TAK-438) to the gastric H+, K+ -ATPase.. Aliment Pharmacol Ther, 42 (11-12): (1315-26). [PMID:26423447] [10.1021/op500134e]
5. Inatomi N, Matsukawa J, Sakurai Y, Otake K. (2016) Potassium-competitive acid blockers: Advanced therapeutic option for acid-related diseases.. Pharmacol Ther, 168 (13): (12-22). [PMID:27514776] [10.1021/op500134e]
6. Abe K, Irie K, Nakanishi H, Suzuki H, Fujiyoshi Y. (2018) Crystal structures of the gastric proton pump.. Nature, 556 (7700): (214-218). [PMID:29618813] [10.1021/op500134e]
7. Oshima T, Miwa H. (2018) Potent Potassium-competitive Acid Blockers: A New Era for the Treatment of Acid-related Diseases.. J Neurogastroenterol Motil, 24 (3): (334-344). [PMID:29739175] [10.1021/op500134e]

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SKU	Size	Availability	Price	Qty
V614772-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
V614772-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,001.90

vonoprazan , CAS No.V614772, Inhibitor of ATP4A