1-(3,6-dibromo-9H-carbazol-9-yl)-3-(phenylamino)propan-2-ol

• ChemBase ID: 30015
• Molecular Formular: C21H18Br2N2O
• Molecular Mass: 474.18842
• Monoisotopic Mass: 471.97858721
• SMILES: n1(c2c(c3c1ccc(c3)Br)cc(cc2)Br)CC(CNc1ccccc1)O
• Canonical SMILES: OC(Cn1c2ccc(cc2c2c1ccc(c2)Br)Br)CNc1ccccc1
• InChI: InChI=1S/C21H18Br2N2O/c22-14-6-8-20-18(10-14)19-11-15(23)7-9-21(19)25(20)13-17(26)12-24-16-4-2-1-3-5-16/h1-11,17,24,26H,12-13H2
• InChIKey: FZHHRERIIVOATI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,6-dibromo-9H-carbazol-9-yl)-3-(phenylamino)propan-2-ol
• IUPAC Traditional name: 1-(3,6-dibromocarbazol-9-yl)-3-(phenylamino)propan-2-ol
• Synonyms: 1-(3,6-Dibromo-carbazol-9-yl)-3-phenylamino-propan-2-ol; 3,6-Dibromo-a-[(phenylamino)methyl]-9H-carbazole-9-ethanol; P7C3; P7C3

Database IDs

• CAS Number: 301353-96-8
• MDL Number: MFCD00572918
• PubChem SID: 160993322
• PubChem CID: 2836187
• Wikipedia Title: P7C3

CALCULATED PROPERTIES

• Acid pKa: 14.419287
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 5.4777493
• LogD (pH = 7.4): 5.495993
• Log P: 5.496231
• Molar Refractivity: 113.8598 cm^3
• Polarizability: 45.183495 Å^3
• Polar Surface Area: 37.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: DMSO: soluble34 mg/mL
• Apperance: white to off-white powder

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 25-41
• Safety Statements: 26-39-45
• TSCA Listed: false
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H318
• GHS Precautionary statements: P280-P301 + P310-P305 + P351 + P338
• RID/ADR: UN 2811 6.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C21H18Br2N2O

DETAILS

Sigma Aldrich - D8446

Biochem/physiol Actions
P7C3 is neurogenic and protects new neurons against apoptosis. These activities may be related to its capacity to protect mitochondrial integrity.Degeneration of the hippocampus is an early manifestation of Alzheimer′s disease. P7C3 promotes neurogenesis in the subgranular zone of the hippocampal dentate gyrus, the site of normal neurogenesis in adult mammals, making it an important lead compound in development of new Alzheimer′s treatments.1