1-phenyl-3,3-bis(pyridin-4-ylmethyl)-2,3-dihydro-1H-indol-2-one

• ChemBase ID: 130543
• Molecular Formular: C26H21N3O
• Molecular Mass: 391.46444
• Monoisotopic Mass: 391.16846231
• SMILES: c1ccc(cc1)N1c2ccccc2C(C1=O)(Cc1ccncc1)Cc1ccncc1
• Canonical SMILES: O=C1N(c2ccccc2)c2c(C1(Cc1ccncc1)Cc1ccncc1)cccc2
• InChI: InChI=1S/C26H21N3O/c30-25-26(18-20-10-14-27-15-11-20,19-21-12-16-28-17-13-21)23-8-4-5-9-24(23)29(25)22-6-2-1-3-7-22/h1-17H,18-19H2
• InChIKey: YEJCDKJIEMIWRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenyl-3,3-bis(pyridin-4-ylmethyl)-2,3-dihydro-1H-indol-2-one
• IUPAC Traditional name: linopirdine
• Synonyms: DuP 996; Linopirdine; 1,3-二氢-1-苯基-3,3-双(4-吡啶基甲基)-2H-吲哚-2-酮; 利诺吡啶

Database IDs

• CAS Number: 105431-72-9
• MDL Number: MFCD00867216
• PubChem SID: 24277846; 162224821
• PubChem CID: 3932

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.181931
• LogD (pH = 7.4): 4.411004
• Log P: 4.414476
• Molar Refractivity: 116.6321 cm^3
• Polarizability: 45.159657 Å^3
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO: >10 mg/mL; ethanol: soluble240 mg/mL
• Apperance: white to off-white

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Pharmacology Properties

• Gene Information: rat ... Kcnj1(24521)

Product Information

• Purity: ≥98% (HPLC)

DETAILS

Sigma Aldrich - L134

Biochem/physiol Actions
刺激乙酰胆碱和其他神经递质的释放；认知增强剂。
包装
10, 50 mg in poly bottle
Legal Information
经 DuPont Merck Pharmaceutical Company 独家授权销售。