Dexlansoprazole - Moligand™, ≥97% , Potassium-transporting ATPase inhibitor, CAS No.138530-94-6, Potassium-transporting ATPase inhibitor

CAS: 138530-94-6 Cat. No.: D129478 分子式: C₁₆H₁₄F₃N₃O₂S 分子量: 369.36 EC番号: 688-930-9

GRADE & PURITY Moligand™, ≥97%

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 -20°C

Shipped In

Ice chest + Ice pads

概要

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

同義語

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

仕様と純度

Moligand™, ≥97%

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

Potassium-transporting ATPase inhibitor

純度

≥97%

製品の性質

• ALogP: 2.8

名前と識別子

• パブケム・シド: 504764835
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504764835
• カノニカル・スマイル: 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
• 異性体SMILES: CC1=C(C=CN=C1C[S@@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F
• 分子量: 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
    • 分類 Benzimidazoles
      • Subclass Sulfinylbenzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in chloroform, methanol, DMSO (74 mg/ml at 25 °C), water (74 mg/ml at 25 °C), and ethanol (<1 mg/ml at 25 °C).
• 分子量: 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

参考文献

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]