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13072-69-0

13072-69-0 | Urea, N-tricyclo[3.3.1.13,7]dec-1-yl-

CAS No: 13072-69-0 Catalog No: AG000UV3 MDL No:MFCD00074734

Product Description

Catalog Number:
AG000UV3
Chemical Name:
Urea, N-tricyclo[3.3.1.13,7]dec-1-yl-
CAS Number:
13072-69-0
Molecular Formula:
C11H18N2O
Molecular Weight:
194.2734
MDL Number:
MFCD00074734
IUPAC Name:
1-adamantylurea
InChI:
InChI=1S/C11H18N2O/c12-10(14)13-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H3,12,13,14)
InChI Key:
QYYHPAUOLCHORH-UHFFFAOYSA-N
SMILES:
NC(=O)NC12CC3CC(C2)CC(C1)C3
EC Number:
235-965-9
NSC Number:
114904

Properties

Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.142g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
194.278g/mol
Monoisotopic Mass:
194.142g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Literature

Title Journal
Inhibition of mycolic acid transport across the Mycobacterium tuberculosis plasma membrane. Nature chemical biology 20120401
The structure-activity relationship of urea derivatives as anti-tuberculosis agents. Bioorganic & medicinal chemistry 20110915
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
1-Aryl-3-(1-acylpiperidin-4-yl)urea inhibitors of human and murine soluble epoxide hydrolase: structure-activity relationships, pharmacokinetics, and reduction of inflammatory pain. Journal of medicinal chemistry 20101014
Soluble epoxide hydrolase in atherosclerosis. Current atherosclerosis reports 20100501
Inhibition of the soluble epoxide hydrolase promotes albuminuria in mice with progressive renal disease. PloS one 20100101
Administration of a substituted adamantyl urea inhibitor of soluble epoxide hydrolase protects the kidney from damage in hypertensive Goto-Kakizaki rats. Clinical science (London, England : 1979) 20090101
Substituted adamantyl-urea inhibitors of the soluble epoxide hydrolase dilate mesenteric resistance vessels. The Journal of pharmacology and experimental therapeutics 20060901
Highly emissive supramolecular oligo(p-phenylene vinylene) dendrimers. Journal of the American Chemical Society 20031022
(R)-3-Amidinophenylalanine-derived inhibitors of factor Xa with a novel active-site binding mode. Biological chemistry 20020101
Total synthesis of rutamycin B, a macrolide antibiotic from Streptomyces aureofaciens. The Journal of organic chemistry 20010727
Total synthesis of rutamycin B and oligomycin C. The Journal of organic chemistry 20010420

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