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39236-46-9 | Imidazolidinyl urea
CAS No: 39236-46-9 Catalog No: AG003D9A MDL No:MFCD00221482
Product Description
Catalog Number:
AG003D9A
Chemical Name:
Imidazolidinyl urea
CAS Number:
39236-46-9
Molecular Formula:
C11H16N8O8
Molecular Weight:
388.2935
MDL Number:
MFCD00221482
IUPAC Name:
1-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-3-[[[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]carbamoylamino]methyl]urea
InChI:
InChI=1S/C11H16N8O8/c20-2-18-4(6(22)16-10(18)26)14-8(24)12-1-13-9(25)15-5-7(23)17-11(27)19(5)3-21/h4-5,20-21H,1-3H2,(H2,12,14,24)(H2,13,15,25)(H,16,22,26)(H,17,23,27)
InChI Key:
ZCTXEAQXZGPWFG-UHFFFAOYSA-N
SMILES:
OCN1C(=O)NC(=O)C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO
EC Number:
254-372-6
UNII:
M629807ATL
Properties
Complexity:
627
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.109g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
388.297g/mol
Monoisotopic Mass:
388.109g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
222A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4
Literature
| Title | Journal |
|---|---|
| Acidic conditions induce the suppression of CD86 and CD54 expression in THP-1 cells. | The Journal of toxicological sciences 20180101 |
| An in vitro skin sensitization assay termed EpiSensA for broad sets of chemicals including lipophilic chemicals and pre/pro-haptens. | Toxicology in vitro : an international journal published in association with BIBRA 20170401 |
| Chemical allergens stimulate human epidermal keratinocytes to produce lymphangiogenic vascular endothelial growth factor. | Toxicology and applied pharmacology 20150301 |
| Differentiation of skin sensitizers from irritant chemicals by interleukin-1α and macrophage inflammatory protein-2 in murine keratinocytes. | Toxicology letters 20130110 |
| Characterization of the decomposition of compounds derived from imidazolidinyl urea in cosmetics and patch test materials. | Contact dermatitis 20121101 |
| Cell chip-based monitoring of toxic effects of cosmetic compounds on skin fibroblast cells. | Journal of nanoscience and nanotechnology 20120701 |
| B cell increases and ex vivo IL-2 production as secondary endpoints for the detection of sensitizers in non-radioisotopic local lymph node assay using flow cytometry. | Toxicology letters 20120325 |
| Formalehyde in personal care products. | Skin pharmacology and physiology 20120101 |
| Simultaneous determination of eleven preservatives in cosmetics by micellar electrokinetic chromatography. | Journal of AOAC International 20120101 |
| Hydrogel allergic contact dermatitis and imidazolidinyl urea/diazolidinyl urea. | Cutaneous and ocular toxicology 20111201 |
| Patch testing with formaldehyde and formaldehyde-releasers: multicentre study in Spain (2005-2009). | Contact dermatitis 20111101 |
| Non-fragrance allergens in specific cosmetic products. | Contact dermatitis 20111101 |
| The intra- and inter-laboratory reproducibility and predictivity of the KeratinoSens assay to predict skin sensitizers in vitro: results of a ring-study in five laboratories. | Toxicology in vitro : an international journal published in association with BIBRA 20110401 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Use of IL-8 release and p38 MAPK activation in THP-1 cells to identify allergens and to assess their potency in vitro. | Toxicology in vitro : an international journal published in association with BIBRA 20100901 |
| Allergic contact dermatitis in a girl due to several cosmetics containing diazolidinyl-urea or imidazolidinyl-urea. | Contact dermatitis 20100701 |
| Positive concomitant test reactions to allergens in the standard patch test series. | International journal of dermatology 20100501 |
| Formaldehyde-releasers in cosmetics in the USA and in Europe. | Contact dermatitis 20100401 |
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| Formaldehyde-releasers in cosmetics: relationship to formaldehyde contact allergy. Part 2. Patch test relationship to formaldehyde contact allergy, experimental provocation tests, amount of formaldehyde released, and assessment of risk to consumers allergic to formaldehyde. | Contact dermatitis 20100101 |
| Hand dermatitis: a focus on allergic contact dermatitis to biocides. | Dermatologic clinics 20090701 |
| Sensitivity of petrolatum and aqueous vehicles for detecting allergy to imidazolidinylurea, diazolidinylurea, and DMDM hydantoin: a retrospective analysis from the North American Contact Dermatitis Group. | Dermatitis : contact, atopic, occupational, drug 20070901 |
| The relationship of vehicle and concentration for imidazolidinylurea, with attention to formaldehyde allergy status. | Dermatitis : contact, atopic, occupational, drug 20060601 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| The relationship of vehicle and concentration of imidazolidinylurea, with attention to formaldehyde allergy status. | Dermatitis : contact, atopic, occupational, drug 20060301 |
| Can an imidazolidinyl urea-preserved corticosteroid cream be safely used in individuals hypersensitive to formaldehyde? | Contact dermatitis 20060101 |
| Characterization and chemistry of imidazolidinyl urea and diazolidinyl urea. | Contact dermatitis 20060101 |
| Cosmetic dermatitis in Chinese eczema patients patch tested with a modified European standard series of allergens. | Contact dermatitis 20051201 |
| [Allergy to diazolidinyl urea (Germall II) and imidazolidinyl urea (Germall 115)]. | Annales de dermatologie et de venereologie 20050101 |
| [Contact sensitization to pharmaceutic aids in dermatologic cosmetic and external use preparations]. | Ceska a Slovenska farmacie : casopis Ceske farmaceuticke spolecnosti a Slovenske farmaceuticke spolecnosti 20040501 |
| In vitro induction of apoptosis vs. necrosis by widely used preservatives: 2-phenoxyethanol, a mixture of isothiazolinones, imidazolidinyl urea and 1,2-pentanediol. | Biochemical pharmacology 20020201 |
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| Standardization of the TRUE Test imidazolidinyl urea and diazolidinyl urea patches. | Contact dermatitis 20010701 |
| Comparison of patch test results with a standard series among white and black racial groups. | American journal of contact dermatitis : official journal of the American Contact Dermatitis Society 20010601 |
| Developing a dynamic pharmacophore model for HIV-1 integrase. | Journal of medicinal chemistry 20000601 |
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