WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 592022
CAS#: 140-38-5
Description: 4-Chlorophenylurea is a novel orally bioavailable factor Xa inhibitor.
MedKoo Cat#: 592022
Name: 4-Chlorophenylurea
CAS#: 140-38-5
Chemical Formula: C7H7ClN2O
Exact Mass: 170.0247
Molecular Weight: 170.6
Elemental Analysis: C, 49.28; H, 4.14; Cl, 20.78; N, 16.42; O, 9.38
Synonym: 4-Chlorophenylurea; NSC 12971; NSC-12971; NSC12971
IUPAC/Chemical Name: (4-Chlorophenyl)urea
InChi Key: RECCURWJDVZHIH-UHFFFAOYSA-N
InChi Code: InChI=1S/C7H7ClN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
SMILES Code: O=C(N)NC1=CC=C(Cl)C=C1
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >3 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.03.00
The following data is based on the product molecular weight 170.6 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
1: Van Huis CA, Bigge CF, Casimiro-Garcia A, Cody WL, Dudley DA, Filipski KJ, Heemstra RJ, Kohrt JT, Narasimhan LS, Schaum RP, Zhang E, Bryant JW, Haarer S, Janiczek N, Leadley RJ Jr, McClanahan T, Thomas Peterson J, Welch KM, Edmunds JJ. Structure-based drug design of pyrrolidine-1, 2-dicarboxamides as a novel series of orally bioavailable factor Xa inhibitors. Chem Biol Drug Des. 2007 Jun;69(6):444-50. PubMed PMID: 17581239.
2: Wilson SR, Malerød H, Petersen D, Rise F, Lundanes E, Greibrokk T. An alternative multiple-trapping LC-SPE-NMR system. J Sep Sci. 2007 Feb;30(3):322-8. PubMed PMID: 17396589.
3: Rohde M, Schenk JA, Heymann S, Behrsing O, Scharte G, Kempter G, Woller J, Höhne WE, Warsinke A, Micheel B. Production and characterization of monoclonal antibodies against urea derivatives. Appl Biochem Biotechnol. 1998 Oct;75(1):129-37. PubMed PMID: 10214701.
4: Morré DJ, Wu LY, Morré DM. Response of a cell-surface NADH oxidase to the antitumor sulfonylurea N-(4-methylphenylsulfonyl)-N'-(4-chlorophenylurea) (LY181984) modulated by redox. Biochim Biophys Acta. 1998 Mar 2;1369(2):185-92. PubMed PMID: 9518604.
5: Jenkins VK, Perry RR, Ahmed AE, Ives K. Role of metabolism in effects of diflubenzuron on growth of B16 melanomas in mice. Invest New Drugs. 1986;4(4):325-35. PubMed PMID: 3108186.
6: Westphal D, Lucas K, Hilbig V, Mechler U, Piasecki A. [Biotransformation of monolinuron (N-(4-chlorophenyl)-N'-methyl-N'methoxyurea) in isolated perfused chicken liver]. Food Chem Toxicol. 1984 Jul;22(7):521-8. German. PubMed PMID: 6540228.
7: Ross D, Farmer PB, Gescher A, Hickman JA, Threadgill MD. The formation and metabolism of N-hydroxymethyl compounds--I. The oxidative N-demethylation of N-dimethyl derivatives of arylamines, aryltriazenes, arylformamidines and arylureas including the herbicide monuron. Biochem Pharmacol. 1982 Nov 15;31(22):3621-7. PubMed PMID: 7181943.
8: Willems AG, Overmars H, Scherpenisse P, De Lange N, Post LC. Diflubenzuron: intestinal absorption and metabolism in the rat. Xenobiotica. 1980 Feb;10(2):103-12. PubMed PMID: 6771928.
