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1429651-50-2

1429651-50-2 Structure

1429651-50-2 Structure
IdentificationBack Directory
[Name]

HPOB
[CAS]

1429651-50-2
[Synonyms]

HPOB
CS-1829
N-hydroxy-4-(2-((2-hydroxyethyl)(phenyl)amino)-2-oxoethyl)benzamide
4-[(Hydroxyamino)carbonyl]-N-(2-hydroxyethyl)-N-phenyl-benzeneacetamide
Benzeneacetamide, 4-[(hydroxyamino)carbonyl]-N-(2-hydroxyethyl)-N-phenyl-
4-[(hydroxyamino)carbonyl]-N-(2-hydroxyethyl)-N-phenyl- benzeneacetamide HPOB
[Molecular Formula]

C17H18N2O4
[MDL Number]

MFCD27952937
[MOL File]

1429651-50-2.mol
[Molecular Weight]

314.34
Chemical PropertiesBack Directory
[storage temp. ]

2-8°C
[solubility ]

DMSO: soluble1mg/mL, clear (warmed)
[form ]

powder
[color ]

white to beige
[InChI]

InChI=1S/C17H18N2O4/c20-11-10-19(15-4-2-1-3-5-15)16(21)12-13-6-8-14(9-7-13)17(22)18-23/h1-9,20,23H,10-12H2,(H,18,22)
[InChIKey]

RFAZNTABYJYOAR-UHFFFAOYSA-N
[SMILES]

C1(CC(N(CCO)C2=CC=CC=C2)=O)=CC=C(C(NO)=O)C=C1
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

HPOB is a histone deacetylase 6 inhibitor used in the enhancement of anti-cancer drugs.
[Biological Activity]

HPOB is a very potentselective inhibitor of HDAC6. HPOB inhibits proliferation of normal and transformed cell lines but does not induce cell death. The compound HPOB potentiates the effects of DNA-damaging cytotoxic anti-cancer drugs.
[Synthesis]

Benzeneacetamide, N-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-4-[(hydroxyamino)carbonyl]-N-phenyl-

1429653-16-6

HPOB

1429651-50-2

4-(2-((((tert-butyldimethylsilyl)oxy)ethyl)(phenyl)amino)-2-oxoethyl)-N-hydroxybenzamide (16 mg, 0.037 mmol) was used as a starting material, which was dissolved in a solution (3 mL) of dichloromethane (CH2Cl2) containing 5% trifluoroacetic acid (TFA) and the reaction was stirred for 5 minutes. After completion of the reaction, the organic phase was concentrated under reduced pressure. The crude product was purified by silica gel column chromatography with the eluent dichloromethane/methanol (10:1, v/v) to afford the target compound N-hydroxy-4-(2-((2-hydroxyethyl)(phenyl)amino)-2-oxoethyl)benzamide in a yield of 8 mg and 68%. Thin layer chromatography (TLC) Rf value was 0.23 (unfolding agent: dichloromethane/methanol, 10:1). Nuclear magnetic resonance hydrogen spectrum (1H NMR, CD3OD, 400 MHz): δ 7.64 (d, J = 8.4 Hz, 2H), 7.45 (m, 3H), 7.29 (d, J = 8.0 Hz, 2H), 7.14 (d, J = 8.0 Hz, 2H), 3.86 (t, J = 6.0 Hz, 2H), 3.68 (t, J = 6.0 Hz. 2H), 3.55 (s, 2H). NMR carbon spectrum (13C NMR, CD3OD, 100 MHz): δ 172.0, 166.9, 142.7, 139.7, 130.9, 129.9, 129.4, 128.7, 128.5, 127.1, 58.8, 51.8, 41.0. mass spectra (APCI+): [M + H]+ m/z = 315.26 .

[in vivo]

HPOB (300 mg/kg; i.p.; daily for 18 days) and SAHA (50 mg/kg) causes suppression of the growth of established CWR22 tumors[1].

Animal Model:Nude mice (CWR22 human prostate cancer xenograf)[1]
Dosage:300 mg/kg
Administration:I.p.; daily for 18 days
Result:Combination with SAHA showed significant shrinkage of CWR22 tumors.
[IC 50]

HDAC6: 0.056 μM (IC50); HDAC3/NCOR2: 1.7 μM (IC50); HDAC8: 2.8 μM (IC50); HDAC1: 2.9 μM (IC50); HDAC10: 3.0 μM (IC50); HDAC2: 4.4 μM (IC50)
[References]

[1] Patent: WO2013/52110, 2013, A1. Location in patent: Page/Page column 46; 48
Spectrum DetailBack Directory
[Spectrum Detail]

HPOB(1429651-50-2)1HNMR
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