Vonoprazan free base
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MedKoo CAT#: 526560

CAS#: 881681-00-1 (free base)

Description: Vonoprazan is a novel potassium-competitive acid blocker. Vonoprazan is a first-in-class potassium-competitive acid blocker. It was approved in the Japanese market in February 2015. Vonoprazan can be used for the treatment of gastroduodenal ulcer (including some drug-induced peptic ulcers) and reflux esophagitis, and can be combined with antibiotics for the eradication of Helicobacter pylori.


Chemical Structure

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Vonoprazan free base
CAS# 881681-00-1 (free base)

Theoretical Analysis

MedKoo Cat#: 526560
Name: Vonoprazan free base
CAS#: 881681-00-1 (free base)
Chemical Formula: C17H16FN3O2S
Exact Mass: 345.0947
Molecular Weight: 345.39
Elemental Analysis: C, 59.12; H, 4.67; F, 5.50; N, 12.17; O, 9.26; S, 9.28

Price and Availability

Size Price Availability Quantity
500.0mg USD 150.0 2 Weeks
1.0g USD 250.0 2 Weeks
2.0g USD 450.0 2 Weeks
5.0g USD 950.0 2 Weeks
10.0g USD 1650.0 2 Weeks
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Related CAS #: 881681-00-1 (free base)   1260141-27-2 (fumarate)   1260141-27-2  

Synonym: Vonoprazan, TAK-438, TAK 438, TAK438

IUPAC/Chemical Name: 1-(5-(2-Fluorophenyl)-1-(pyridine-3-sulfonyl)-1H-pyrrol-3-yl)-N-methylmethanamine

InChi Key: BFDBKMOZYNOTPK-UHFFFAOYSA-N

InChi Code: 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

SMILES Code: CNCC1=CN(S(=O)(C2=CC=CN=C2)=O)C(C3=CC=CC=C3F)=C1

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 345.39 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Yamasaki H, Kawaguchi N, Nonaka M, Takahashi J, Morohashi A, Hirabayashi H, Moriwaki T, Asahi S. In vitro metabolism of TAK-438, vonoprazan fumarate, a novel potassium-competitive acid blocker. Xenobiotica. 2016 Jul 14:1-8. [Epub ahead of print] PubMed PMID: 27414183.

2: Otake K, Sakurai Y, Nishida H, Fukui H, Tagawa Y, Yamasaki H, Karashima M, Otsuka K, Inatomi N. Characteristics of the Novel Potassium-Competitive Acid Blocker Vonoprazan Fumarate (TAK-438). Adv Ther. 2016 Jul;33(7):1140-57. doi: 10.1007/s12325-016-0345-2. Review. PubMed PMID: 27287852.

3: Kogame A, Takeuchi T, Nonaka M, Yamasaki H, Kawaguchi N, Bernards A, Tagawa Y, Morohashi A, Kondo T, Moriwaki T, Asahi S. Disposition and metabolism of TAK-438 (vonoprazan fumarate), a novel potassium-competitive acid blocker, in rats and dogs. Xenobiotica. 2016 May 26:1-12. [Epub ahead of print] PubMed PMID: 27225050.

4: Matsukawa J, Kogame A, Tagawa Y, Inatomi N. Radiographic Localization Study of a Novel Potassium-Competitive Acid Blocker, Vonoprazan, in the Rat Gastric Mucosa. Dig Dis Sci. 2016 Jul;61(7):1888-94. doi: 10.1007/s10620-016-4100-y. PubMed PMID: 26961787.

5: Yoneyama T, Teshima K, Jinno F, Kondo T, Asahi S. A validated simultaneous quantification method for vonoprazan (TAK-438F) and its 4 metabolites in human plasma by the liquid chromatography-tandem mass spectrometry. J Chromatogr B Analyt Technol Biomed Life Sci. 2016 Mar 15;1015-1016:42-9. doi: 10.1016/j.jchromb.2016.01.051. PubMed PMID: 26896571.

6: Liu L, Cao N, Ma X, Xiong K, Sun L, Zou Q. Identification, characterization, and high-performance liquid chromatography quantification of process-related impurities in vonoprazan fumarate. J Sep Sci. 2016 Apr;39(7):1232-41. doi: 10.1002/jssc.201501154. PubMed PMID: 26843471.

7: Matsukawa J, Inatomi N, Otake K. [Pharmacological and clinical profiles of a novel potassium-competitive acid blocker, vonoprazan fumarate (Takecab(®) 10 mg and 20 mg)]. Nihon Yakurigaku Zasshi. 2015 Nov;146(5):275-82. doi: 10.1254/fpj.146.275. Review. Japanese. PubMed PMID: 26558313.

8: Echizen H. The First-in-Class Potassium-Competitive Acid Blocker, Vonoprazan Fumarate: Pharmacokinetic and Pharmacodynamic Considerations. Clin Pharmacokinet. 2016 Apr;55(4):409-18. doi: 10.1007/s40262-015-0326-7. Review. PubMed PMID: 26369775.

9: Arikawa Y, Nishida H, Kurasawa O, Hasuoka A, Hirase K, Inatomi N, Hori Y, Matsukawa J, Imanishi A, Kondo M, Tarui N, Hamada T, Takagi T, Takeuchi T, Kajino M. Discovery of a novel pyrrole derivative 1-[5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamin e fumarate (TAK-438) as a potassium-competitive acid blocker (P-CAB). J Med Chem. 2012 May 10;55(9):4446-56. doi: 10.1021/jm300318t. PubMed PMID: 22512618.