B4061
BATCP
≥98% (HPLC), solid
Synonym(s):
(S)-[5-Acetylamino-1-(2-oxo-4-trifluoromethyl-2H-chromen-7-ylcarbamoyl)pentyl]carbamic acid tert-butyl ester, Cpd 3b
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About This Item
Empirical Formula (Hill Notation):
C23H28F3N3O6
CAS Number:
Molecular Weight:
499.48
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
12352200
MDL number:
Quality Level
assay
≥98% (HPLC)
form
solid
solubility
DMSO: 16 mg/mL
storage temp.
2-8°C
SMILES string
CC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(OC(=O)C=C2C(F)(F)F)c1
InChI
1S/C23H28F3N3O6/c1-13(30)27-10-6-5-7-17(29-21(33)35-22(2,3)4)20(32)28-14-8-9-15-16(23(24,25)26)12-19(31)34-18(15)11-14/h8-9,11-12,17H,5-7,10H2,1-4H3,(H,27,30)(H,28,32)(H,29,33)/t17-/m0/s1
InChI key
NVKNRJCOVHAZDK-KRWDZBQOSA-N
Biochem/physiol Actions
HDAC 6 selective substrate (over HDAC 1, Class II over Class I).
Features and Benefits
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Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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