Home Other Building Blocks 3-(1-PHENYL-ETHYL)-3H-IMIDAZOLE-4-CARBOXYLIC ACID

3-(1-PHENYL-ETHYL)-3H-IMIDAZOLE-4-CARBOXYLIC ACID

CAS No.:
3157-27-5
Catalog Number:
AG00CKLP
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00CKLP
Chemical Name:
3-(1-PHENYL-ETHYL)-3H-IMIDAZOLE-4-CARBOXYLIC ACID
CAS Number:
3157-27-5
MDL Number:
MFCD00816223
IUPAC Name:
3-(1-phenylethyl)imidazole-4-carboxylic acid
InChI:
InChI=1S/C12H12N2O2/c1-9(10-5-3-2-4-6-10)14-8-13-7-11(14)12(15)16/h2-9H,1H3,(H,15,16)
InChI Key:
RGYCCBLTSWHXIS-UHFFFAOYSA-N
NSC Number:
168567
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Mapping general anesthetic binding site(s) in human α1β3 γ-aminobutyric acid type A receptors with [³H]TDBzl-etomidate, a photoreactive etomidate analogue. Biochemistry 20120131
GABA(A) receptors as molecular targets of general anesthetics: identification of binding sites provides clues to allosteric modulation. Canadian journal of anaesthesia = Journal canadien d'anesthesie 20110101
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
New insights into the molecular mechanisms of general anaesthetics. British journal of pharmacology 20100901
Identification of binding sites in the nicotinic acetylcholine receptor for TDBzl-etomidate, a photoreactive positive allosteric effector. The Journal of biological chemistry 20080808
Synthesis of trifluoromethylaryl diazirine and benzophenone derivatives of etomidate that are potent general anesthetics and effective photolabels for probing sites on ligand-gated ion channels. Journal of medicinal chemistry 20060810
[18F]FETO: metabolic considerations. European journal of nuclear medicine and molecular imaging 20060801
[18F]FETO for adrenocortical PET imaging: a pilot study in healthy volunteers. European journal of nuclear medicine and molecular imaging 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
In vivo and in vitro evaluation of [18F]FETO with respect to the adrenocortical and GABAergic system in rats. European journal of nuclear medicine and molecular imaging 20031001
Properties