Ipragliflozin L-Proline - ≥99% , Sodium/glucose cotransporter 2 inhibitor, CAS No.951382-34-6, Sodium/glucose cotransporter 2 inhibitor

CAS: 951382-34-6 Cat. No.: I412672 分子式: C₂₆H₃₀FNO₇S 分子量: 519.58 PubChem CID: 57339444

グレード＆純度 ≥99%

Synonyms

IPRAGLIFLOZIN L-PROLINE [WHO-DD] | (2S,3R,4R,5S,6R)-2-(3-(Benzo[b]thiophen-2-ylmethyl)-4-fluorophenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (S)-Pyrrolidine-2-carboxylic acid | Suglat (TN) | AMY16735 | Ipragliflozin L-proline (JAN) | L-proline

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

Ipragliflozin L-Proline is an orally active and selective inhibitor ofSGLT2with IC50 of 7.38 nM, 6.73 nM and 5.64 nM for human SGLT2, rat SGLT2 and mouse SGLT2, respectively.

Targets

mouse SGLT2 (Cell-free assay); rat SGLT2 (Cell-free assay); human SGLT2 (Cell-free assay) 5.64 nM; 6.73 nM; 7.38 nM

仕様

同義語

IPRAGLIFLOZIN L-PROLINE [WHO-DD] | (2S,3R,4R,5S,6R)-2-(3-(Benzo[b]thiophen-2-ylmethyl)-4-fluorophenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol (S)-Pyrrolidine-2-carboxylic acid | Suglat (TN) | AMY16735 | Ipragliflozin L-proline (JAN) | L-proline

仕様と純度

≥99%

生化学的・生理学的メカニズム

Ipragliflozin L-Proline is an orally active and selective inhibitor of SGLT2 with IC50 of 7.38 nM, 6.73 nM and 5.64 nM for human SGLT2, rat SGLT2 and mouse SGLT2, respectively.

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。

アクションタイプ

INHIBITOR

作用メカニズム

Sodium/glucose cotransporter 2 inhibitor

純度

≥99%

名前と識別子

パブケム・シド

504771550

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504771550

カノニカル・スマイル

C1CC(NC1)C(=O)O.C1=CC=C2C(=C1)C=C(S2)CC3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)F

IUPAC Name

(2S,3R,4R,5S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;(2S)-pyrrolidine-2-carboxylic acid

InChIKey

TUVGWWULBZIUBS-FVYIYGEMSA-N

INCHI

1S/C21H21FO5S.C5H9NO2/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14;7-5(8)4-2-1-3-6-4/h1-8,16,18-21,23-26H,9-10H2;4,6H,1-3H2,(H,7,8)/t16-,18-,19+,20-,21+;4-/m10/s1

異性体SMILES

C1C[C@H](NC1)C(=O)O.C1=CC=C2C(=C1)C=C(S2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)F

PubChem CID

57339444

分子量

519.58

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Phenolic glycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Phenolic glycosides
• Alternative Parents: Proline and derivatives Hexoses C-glycosyl compounds L-alpha-amino acids 1-benzothiophenes Pyrrolidine carboxylic acids 2,3,5-trisubstituted thiophenes Fluorobenzenes Oxanes Aryl fluorides Heteroaromatic compounds 1,2-diols Amino acids Secondary alcohols Monocarboxylic acids and derivatives Dialkylamines Dialkyl ethers Carboxylic acids Azacyclic compounds Oxacyclic compounds Organic oxides Carbonyl compounds Organofluorides Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Phenolic glycoside - Proline or derivatives - Hexose monosaccharide - C-glycosyl compound - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - 1-benzothiophene - Benzothiophene - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Fluorobenzene - Halobenzene - Benzenoid - Monosaccharide - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Oxane - Thiophene - Heteroaromatic compound - Pyrrolidine - Secondary alcohol - Amino acid - 1,2-diol - Amino acid or derivatives - Monocarboxylic acid or derivatives - Oxacycle - Secondary amine - Carboxylic acid derivative - Ether - Secondary aliphatic amine - Dialkyl ether - Azacycle - Organoheterocyclic compound - Carboxylic acid - Polyol - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Primary alcohol - Amine - Hydrocarbon derivative - Organic oxide - Alcohol - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.
• 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

化学的性質と物理的性質

• 溶解度: Solubility (25°C) In vitro DMSO: 35 mg/mL (67.36 mM); Ethanol: 6 mg/mL (11.54 mM); Water: Insoluble
• 分子量: 519.600 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 519.173 Da
• Monoisotopic Mass: 519.173 Da
• Topological Polar Surface Area: 168.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 628.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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: 2

XLogP3