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

CAS: 172152-36-2 Cat. No.: I332490 분자식: C₁₉H₁₈N₄O₂S 분자량: 366.44

등급 & 순도 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

사양

동의어

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 [

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

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.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

Potassium-transporting ATPase inhibitor

순수함

≥98%

제품 특성

ALogP

2.3

이름과 식별자

Pubchem Sid

504757861

Pubchem Sid Url

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

정식 스마일

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)

이성체 SMILES

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

분자량

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
    • 분류 Benzimidazoles
      • Subclass Sulfinylbenzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

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)

작용 메커니즘

화학 및 물리적 특성

• 굴절률: n20D1.71 (Predicted)
• 끓는점(°C): ~651.0° C at 760 mmHg (Predicted)
• 녹는점(°C): 271.46° C (Predicted)
• 분자량: 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