Ilaprazole - Moligand™, ≥98% , Potassium-transporting ATPase inhibitor, CAS No.172152-36-2, Potassium-transporting ATPase inhibitor

CAS: 172152-36-2 Cat. No.: I332490 Formule: C₁₉H₁₈N₄O₂S Poids moléculaire: 366.44

QUALITÉ & PURETÉ Moligand™, ≥98%

Synonyms

s3666 | ILAPRAZOLE [WHO-DD] | DTXSID10870115 | 2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfinyl]-6-pyrrol-1-yl-1h-benzoimidazole | GTPL10512 | 1H-Benzimidazole,2-[[(4-methoxy-3-methyl-2-pyridinyl)methyl]sulfinyl]-5-(1H-pyrrol-1-yl)- (9CI) | Ilaprazole [

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Spécifications

Synonymes

s3666 | ILAPRAZOLE [WHO-DD] | DTXSID10870115 | 2-[(4-methoxy-3-methyl-pyridin-2-yl)methylsulfinyl]-6-pyrrol-1-yl-1h-benzoimidazole | GTPL10512 | 1H-Benzimidazole,2-[[(4-methoxy-3-methyl-2-pyridinyl)methyl]sulfinyl]-5-(1H-pyrrol-1-yl)- (9CI) | Ilaprazole [

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

Ilaprazole is a proton pump inhibitor (H+/K+ ATPase inhibitor) that suppresses acids secretion. Ilaprazole is a potent and selective inhibitor of T-cell-originated protein kinase (TOPK) that suppresses cancer growth.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Potassium-transporting ATPase inhibitor

Pureté

≥98%

Propriétés du produit

ALogP

2.3

Noms et identifiants

Pubchem Sid

504757861

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757861

Sourires canoniques

CC1=C(C=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)N4C=CC=C4)OC

IUPAC Name

2-[(4-methoxy-3-methylpyridin-2-yl)methylsulfinyl]-6-pyrrol-1-yl-1H-benzimidazole

InChIKey

HRRXCXABAPSOCP-UHFFFAOYSA-N

INCHI

1S/C19H18N4O2S/c1-13-17(20-8-7-18(13)25-2)12-26(24)19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23/h3-11H,12H2,1-2H3,(H,21,22)

Isomères SMILES

CC1=C(C=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)N4C=CC=C4)OC

Poids moléculaire

366.44

Reaxy-Rn

28112568

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28112568&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzimidazoles
• Subclass: Sulfinylbenzimidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfinylbenzimidazoles
• Alternative Parents: Methylpyridines Alkyl aryl ethers Substituted pyrroles Benzenoids Imidazoles Heteroaromatic compounds Sulfoxides Sulfinyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Sulfinylbenzimidazole - Alkyl aryl ether - Methylpyridine - Pyridine - Substituted pyrrole - Benzenoid - Azole - Imidazole - Pyrrole - Heteroaromatic compound - Sulfoxide - Sulfinyl compound - Azacycle - Ether - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - 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

Cibles associées (humaines)

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)

Mécanismes d'action

Propriétés chimiques et physiques

• Indice de réfraction: n20D1.71 (Predicted)
• Point d'ébullition (°C): ~651.0° C at 760 mmHg (Predicted)
• Point de fusion (°C): 271.46° C (Predicted)
• Poids moléculaire: 366.400 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 366.115 Da
• Monoisotopic Mass: 366.115 Da
• Topological Polar Surface Area: 92.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 502.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1