N'-[(3,4-dihydroxyphenyl)methylidene]-3-hydroxynaphthalene-2-carbohydrazide hydrate

• ChemBase ID: 154075
• Molecular Formular: C18H16N2O5
• Molecular Mass: 340.33004
• Monoisotopic Mass: 340.10592162
• SMILES: c1ccc2cc(c(cc2c1)C(=O)N/N=C/c1ccc(c(c1)O)O)O.O
• Canonical SMILES: O=C(c1cc2ccccc2cc1O)N/N=C/c1ccc(c(c1)O)O.O
• InChI: InChI=1S/C18H14N2O4.H2O/c21-15-6-5-11(7-17(15)23)10-19-20-18(24)14-8-12-3-1-2-4-13(12)9-16(14)22;/h1-10,21-23H,(H,20,24);1H2
• InChIKey: FKWZHQSDBMSHTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-[(3,4-dihydroxyphenyl)methylidene]-3-hydroxynaphthalene-2-carbohydrazide hydrate
• IUPAC Traditional name: N'-[(3,4-dihydroxyphenyl)methylidene]-3-hydroxynaphthalene-2-carbohydrazide hydrate
• Synonyms: 3-Hydroxy-naphthalene-2-carboxylic acid (3,4-dihydroxy-benzylidene)-hydrazide hydrate; Dynasore hydrate; 3-Hydroxy-naphthalene-2-carboxylic acid (3,4-dihydroxy-benzylidene)-hydrazide 一水合物; Dynasore 一水合物

Database IDs

• CAS Number: 1202867-00-2
• MDL Number: MFCD11045288
• PubChem SID: 162248214
• PubChem CID: 71311786

CALCULATED PROPERTIES

• Acid pKa: 7.7744646
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): 3.6895907
• LogD (pH = 7.4): 3.537204
• Log P: 3.6919155
• Molar Refractivity: 90.6284 cm^3
• Polarizability: 34.62426 Å^3
• Polar Surface Area: 102.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO: ≥10 mg/mL; H2O: insoluble
• Apperance: off-white powder

Safety Information

• Storage Condition: protect from light
• European Hazard Symbols: Nature polluting (N)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 50
• Safety Statements: 22-24/25-61
• GHS Pictograms: GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H400
• GHS Precautionary statements: P273
• Personal Protective Equipment: Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3
• Storage Temperature: -20°C

Product Information

• Empirical Formula (Hill Notation): C18H14N2O4 · xH2O

DETAILS

Sigma Aldrich - D7693

Frequently Asked Questions
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Biochem/physiol Actions
Dynasore is a cell-permeable, reversible noncompetitive dynamin 1 and dynamin 2 GTPase activity inhibitor.
General description
Dynasore is a small molecule GTPase inhibitor that targets dynamin-1, dynamin-2 and Drp1 (mitochondrial). Dynasore blocks dynamin-dependent endocytosis, scission of endocytic vesicles. Dynosore is profibrotic, induces PAI-1 in pleural mesothelial cells, and may be an effective pleurodesing (pleurodesis) agent. Dynasor blocks human papillomavirus type 16 (HPV16) and bovine papillomavirus type 1 (BPV1) (pseudovirions) infections.