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A 887826

A 887826 structure

A 887826 

structure
  • CAS No:

    1266212-81-0

  • Formula:

    C26H29ClN4O3

  • Chemical Name:

    A 887826

  • Synonyms:

    5-(4-butoxy-3-chlorophenyl)-N-((2-morpholinopyridin-3-yl)methyl)nicotinamide;A 887826;A-887826;A887826;5-(4-Butoxy-3-chlorophenyl)-N-[[2-(4-morpholinyl)-3-pyridinyl]methyl]-3-pyridinecarboxamide;CHEMBL4303253;SCHEMBL18797632;DTXSID20677354

Description

A-887826 is a potent, selective, oral bioavailable and voltage-dependent Na(v)1.8 sodium channel blocker with an IC50 of 11 nM . A-887826 attenuates neuropathic tactile allodynia in vivo[1].

A 887826 Basic Attributes

480.98646

480.19300

DTXSID20677354

Characteristics

76.6

5.38230

white to beige

1.230±0.06 g/cm3(Predicted)

711.5±60.0 °C(Predicted)

DMSO: ≥5mg/mL

2-8°C

Safety Information

UN 2811 6.1 / PGIII

3

25

45

T

P301 + P310

H301

Drug Information

5-(4-butoxy-3-chlorophenyl)-N-((2-morpholinopyridin-3-yl)methyl)nicotinamide

A 887826 Use and Manufacturing

A structurally novel, potent and voltage-dependent Nav1.8 sodium channel blocker that attenuates neuropathic tactile allodynia in rats

Computed Properties

Molecular Weight:481.0
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:480.1928185
Monoisotopic Mass:480.1928185
Topological Polar Surface Area:76.6
Heavy Atom Count:34
Complexity:621
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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