SML3868
PG3d
≥97% (1H-NMR)
Synonym(s):
4-Hydroxy-2-(2-phenylethynyl)-5-(phenylmethyl)-6H-1,3-oxazin-6-one, 5-Benzyl-4-hydroxy-2-(phenylethynyl)-6H-1,3-oxazin-6-one
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About This Item
Empirical Formula (Hill Notation):
C19H13NO3
CAS Number:
Molecular Weight:
303.31
UNSPSC Code:
12352200
NACRES:
NA.21
MDL number:
SMILES string
N1=C(OC(=O)C(C1=O)Cc3ccccc3)C#Cc2ccccc2
InChI
1S/C19H13NO3/c21-18-16(13-15-9-5-2-6-10-15)19(22)23-17(20-18)12-11-14-7-3-1-4-8-14/h1-10,16H,13H2
InChI key
ZBZZHVGCNWRIGR-UHFFFAOYSA-N
assay
≥97% (1H-NMR)
form
powder
storage condition
desiccated
color
white to beige
solubility
DMSO: 2 mg/mL, clear
storage temp.
2-8°C
Quality Level
Related Categories
Biochem/physiol Actions
Cell penetrant, potent and selective irreversible allosteric inhibitor of caspase-6 activation that binds outside the active site of caspase-6
Disclaimer
Hygroscopic
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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Dagmar E Ehrnhoefer et al.
Cell chemical biology, 26(9), 1295-1305 (2019-07-30)
Aberrant activation of caspase-6 (C6) in the absence of other hallmarks of apoptosis has been demonstrated in cells and tissues from patients with Huntington disease (HD) and animal models. C6 activity correlates with disease progression in patients with HD and
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