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Trans-AUCB

CAT: 0804-HY-113974-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-113974-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Trans-AUCB (t-AUCB) is a potent, orally active and selective soluble epoxide hydrolase (sEH) inhibitor with IC50s of 1.3 nM, 8 nM, 8 nM for hsEH, mouse sEH and rat sEH, respectively. trans-AUCB has anti-glioma activity[1][2].
CAS Number
885012-33-9
Product Name Alternative
T-AUCB
UNSPSC
12352005
Target
Epoxide Hydrolase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/trans-aucb.html
Concentration
10mM
Purity
98.16
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
OC(C(C=C1)=CC=C1O[C@@H](CC2)CC[C@H]2NC(NC34C[C@H](C5)C[C@H](C[C@H]5C4)C3)=O)=O
Molecular Formula
C24H32N2O4
Molecular Weight
412.52
References & Citations
[1]Li J, et al. t-AUCB, an improved sEH inhibitor, suppresses human glioblastoma cell growth by activatingNF-κB-p65. J Neurooncol. 2012 Jul;108 (3) :385-93.|[2]Liu JY, et al. Pharmacokinetic optimization of four soluble epoxide hydrolase inhibitors for use in a murinemodel of inflammation. Br J Pharmacol. 2009 Jan;156 (2) :284-96.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-(4-(3-Adamantan-1-ylureido)cyclohexyloxy)benzoic acid

structure in first source

CAS Number885012-33-9
PubChem CID16038368
IUPAC Name4-[4-(1-adamantylcarbamoylamino)cyclohexyl]oxybenzoic acid
Molecular FormulaC24H32N2O4
Molecular Weight412.5
XLogP4.6
Topological Polar Surface Area87.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity608
SMILES
C1CC(CCC1NC(=O)NC23CC4CC(C2)CC(C4)C3)OC5=CC=C(C=C5)C(=O)O
InChI
InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)
InChIKey
KNBWKJBQDAQARU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-(3-Adamantan-1-ylureido)cyclohexyloxy)benzoic acid
CAS: 885012-33-9
CID: 16038368
Formula: C24H32N2O4
MW: 412.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.5
XLogP34.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass412.23620751
Monoisotopic Mass412.23620751
Topological Polar Surface Area87.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity608
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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