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270253

Sigma-Aldrich

4-Hydroxybenzamide

98%

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About This Item

Fórmula lineal:
HOC6H4CONH2
Número de CAS:
619-57-8
Peso molecular:
137.14
EC Number:
210-602-7
MDL number:
MFCD00007997
UNSPSC Code:
12352100
PubChem Substance ID:
24856366
NACRES:
NA.22

Quality Level

100

assay

98%

mp

161-162 °C (lit.)

SMILES string

NC(=O)c1ccc(O)cc1

InChI

1S/C7H7NO2/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10)

InChI key

QXSAKPUBHTZHKW-UHFFFAOYSA-N

Categorías relacionadas

General description

The standard molar enthalpy of formation of 4-hydroxybenzamide was studied by micro- or macrocombustion calorimetry.

Application

4-Hydroxybenzamide was used in the synthesis of balanol, a potent protein kinase C (PKC) inhibitor.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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H Nishida et al.
Xenobiotica; the fate of foreign compounds in biological systems, 37(12), 1394-1407 (2007-11-23)
The identification of metabolites in the early stages of drug discovery is important not only for guiding structure-activity relationships (SAR) and structure-metabolism relationships (SMR) strategies, but also for predicting the potential for adverse events. The present study investigated the phase
R S Randad et al.
Bioorganic & medicinal chemistry, 4(9), 1471-1480 (1996-09-01)
A combination of structure-activity studies, kinetic analysis, X-ray crystallographic analysis, and modeling were employed in the design of a novel series of HIV-1 protease (HIV PR) inhibitors. The crystal structure of a complex of HIV PR with SRSS-2,5-bis[N-(tert-butyloxycarbonyl)amino]-3,4-dihydroxy-1, 6-diphenylhexane (1)
Carlos E S Bernardes et al.
The journal of physical chemistry. A, 112(40), 10029-10039 (2008-09-13)
The energetics of the phenolic O-H bond in a series of 2- and 4-HOC 6H 4C(O)Y (Y = H, CH3, CH 2CH=CH2, C[triple bond]CH, CH2F, NH2, NHCH 3, NO2, OH, OCH3, OCN, CN, F, Cl, SH, and SCH3) compounds and
Y S Lai et al.
Journal of medicinal chemistry, 40(2), 226-235 (1997-01-17)
Balanol is a potent protein kinase C (PKC) inhibitor that is structurally composed of a benzophenone diacid, a 4-hydroxybenzamide, and a perhydroazepine ring. A number of balanol analogs in which the perhydroazepine moiety is replaced have been synthesized and their
G D Smith et al.
Protein science : a publication of the Protein Society, 5(8), 1502-1511 (1996-08-01)
The structure of a symmetric T3R3f insulin hexamer, complexed with 4-hydroxybenzamide, has been determined using X-ray crystallographic techniques. Data were measured from six crystals grown in microgravity to a resolution of 1.4 A and the structure has been refined including
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