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Merck
CN

51461

Urea

purum p.a., crystallized, ≥99.0% (N)

Synonym(s):

Carbamide, Carbonyldiamide

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About This Item

Linear Formula:
NH2CONH2
CAS Number:
Molecular Weight:
60.06
EC Number:
200-315-5
UNSPSC Code:
12352100
MDL number:
Beilstein/REAXYS Number:
635724
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grade

purum p.a.

assay

≥99.0% (N)

quality

crystallized

impurities

≤0.1% biuret

ign. residue

≤0.1% (as SO4)

mp

132-135 °C

density

1.335 g/mL at 25 °C (lit.)

anion traces

chloride (Cl-): ≤10 mg/kg, sulfate (SO42-): ≤30 mg/kg

cation traces

K: ≤300 mg/kg

SMILES string

NC(N)=O

InChI

1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)

InChI key

XSQUKJJJFZCRTK-UHFFFAOYSA-N

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Application

Used for the denaturation of proteins and as a mild solubilization agent for insoluble or denatured proteins. Useful for renaturing proteins from samples already denatured with 6 M guanidine chloride such as inclusion bodies. May be used with guanidine hydrochloride and dithiothreitrol (DTT) in the refolding of denatured proteins into their native or active form.

Storage Class

13 - Non Combustible Solids

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

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Frederik B Pruijn et al.
Journal of medicinal chemistry, 48(4), 1079-1087 (2005-02-18)
The extravascular diffusion of antitumor agents is a key determinant of their therapeutic activity, but the relationships between physicochemical properties of drugs and their extravascular transport are poorly understood. It is well-known that drug lipophilicity plays an important role in
Lei Du-Cuny et al.
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Computational modeling continues to play an important role in novel therapeutics discovery and development. In this study, we have investigated the use of in silico approaches to develop inhibitors of the pleckstrin homology (PH) domain of AKT (protein kinase B).
Alex Avdeef et al.
Journal of medicinal chemistry, 53(9), 3566-3584 (2010-04-09)
The study aimed to predict effective human jejunal permeability (P(eff)) using a biophysical model based on parametrized paracellular, aqueous boundary layer, and transcellular permeabilities, and the villus-fold surface area expansion factor (k(VF)). Published human jejunal data (119 P(eff), 53 compounds)
Bram Baert et al.
Bioorganic & medicinal chemistry, 15(22), 6943-6955 (2007-09-11)
A set of 116 structurally very diverse compounds, mainly drugs, was characterized by 1630 molecular descriptors. The biological property modelled in this study was the transdermal permeability coefficient logK(p). The main objective was to find a limited set of suitable
Denis Fourches et al.
Chemical research in toxicology, 23(1), 171-183 (2009-12-18)
Drug-induced liver injury is one of the main causes of drug attrition. The ability to predict the liver effects of drug candidates from their chemical structures is critical to help guide experimental drug discovery projects toward safer medicines. In this

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