Dexlansoprazole - Moligand™, 10mM in DMSO , Potassium-transporting ATPase inhibitor, CAS No.138530-94-6, Potassium-transporting ATPase inhibitor

CAS: 138530-94-6 Cat. No.: D421459 Molecular Weight: 369.36 EC Number: 688-930-9

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

DEXLANSOPRAZOLE [MART.] | MFCD19705296 | (+)-2-amino-2,3-dimethylbutyronitrile | LANSOPRAZOLE R-FORM [MI] | (R)-2-(((3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole | DEXLANSOPRAZOLE [INN] | lansoprazole | Quinidine gl

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

The R-enantiomer of lansoprazole which acts as a gastric proton pump inhibitor and an antiulcerative.
Acts as a gastric proton pump inhibitor and an antiulcerative

Specifications

Synonyms

DEXLANSOPRAZOLE [MART.] | MFCD19705296 | (+)-2-amino-2, 3-dimethylbutyronitrile | LANSOPRAZOLE R-FORM [MI] | (R)-2-(((3-Methyl-4-(2, 2, 2-trifluoroethoxy)pyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole | DEXLANSOPRAZOLE [INN] | lansoprazole | Quinidine gl

Specifications & Purity

Moligand™, 10mM in DMSO

Biochemical and Physiological Mechanisms

Dexlansoprazole, the dextrorotatory enantiomer of lansoprazole, is a proton pump inhibitor (PPI) formulated to have dual delayed-release properties.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Potassium-transporting ATPase inhibitor

Product Properties

• ALogP: 2.8

Names and Identifiers

• Canonical Smiles: CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F
• IUPAC Name: 2-[(R)-[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-1H-benzimidazole
• InChIKey: MJIHNNLFOKEZEW-RUZDIDTESA-N
• INCHI: 1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)/t25-/m1/s1
• Isomeric SMILES: CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F
• Molecular Weight: 369.36
• Reaxy-Rn: 4333393
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4333393&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzimidazoles
      • Subclass Sulfinylbenzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzimidazoles
• Subclass: Sulfinylbenzimidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfinylbenzimidazoles
• Alternative Parents: Methylpyridines Alkyl aryl ethers Benzenoids Imidazoles Heteroaromatic compounds Sulfoxides Sulfinyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Sulfinylbenzimidazole - Alkyl aryl ether - Methylpyridine - Pyridine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Sulfoxide - Azacycle - Sulfinyl compound - Ether - Hydrocarbon derivative - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Alkyl halide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

Homo sapiens (32628 Activities)

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K562 (73714 Activities)

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HUVEC (11049 Activities)

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MV4-11 (7307 Activities)

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ENGASE Tchem Endo-beta-N-acetylglucosaminidase (63 Activities)

Discover Target: ENGASE

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ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

Discover Target: ABCC2

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ABCB11 Tchem Bile salt export pump (2311 Activities)

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ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

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ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)

Discover Target: ABCC4

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MOLM-13 (2241 Activities)

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WDR5 Tchem Histone-lysine N-methyltransferase 2A/WDR5 (99 Activities)

Discover Target: WDR5

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L02 (4864 Activities)

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Associated Targets(non-human)

SARS-CoV-2 (38078 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 369.400 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 369.076 Da
• Monoisotopic Mass: 369.076 Da
• Topological Polar Surface Area: 87.100 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 480.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Feng Su, Ziqing Sun, Weike Su, Xianrui Liang.  (2018)  NMR investigation and theoretical calculations on the tautomerism of benzimidazole compounds.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2018.07.038]

2. Xinqi Xu, Fahui Xu, Jingjing Chen, Shumin Wang, Xialian Wang, Bingmei Su, Lian Xu, Juan Lin.  (2025)  Engineering of a (R)-selective Baeyer-Villiger monooxygenase to minimize overoxidation activity for asymmetric synthesis of active pharmaceutical prazoles.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:39793827] [10.1016/j.ijbiomac.2025.139561]