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DO34

CAT: 0804-HY-117771-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-117771-02Size:10 mM - 1 mL
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Description
DO34 is a highly potent, selective and centrally active diacylglycerol lipase (DAGL) inhibitor, with an IC50 of 6 nM for DAGLα conversion of SAG to 2-AG, and an IC50 for DAGLβ.
CAS Number
1848233-58-8
Product Name Alternative
MK0364 (1R,2R)stereoisomer
UNSPSC
12352005
Target
DAGL
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/DO34.html
Concentration
10mM
Purity
99.30
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O=C(N1CC(CC2=CC=CC=C2)N(C(N3N=NC(C4=CC=C(OC(F)(F)F)C=C4)=C3)=O)CC1)OC(C)(C)C
Molecular Formula
C26H28F3N5O4
Molecular Weight
531.53
References & Citations
[1]Ogasawara D, et al. Rapid and profound rewiring of brain lipid signaling networks by acute diacylglycerol lipase inhibition. Proc Natl Acad Sci U S A. 2016 Jan 5;113 (1) :26-33.|[2]Deng H, et al. Triazole Ureas Act as Diacylglycerol Lipase Inhibitors and Prevent Fasting-Induced Refeeding. J Med Chem. 2017 Jan 12;60 (1) :428-440.|[3]Liu X, et al. Coordinated regulation of endocannabinoid-mediated retrograde synaptic suppression in the cerebellum by neuronal and astrocytic monoacylglycerol lipase. Sci Rep. 2016 Oct 24;6:35829.
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

DO34
CAS Number1848233-58-8
PubChem CID129188708
IUPAC Nametert-butyl 3-benzyl-4-[4-[4-(trifluoromethoxy)phenyl]triazole-1-carbonyl]piperazine-1-carboxylate
Molecular FormulaC26H28F3N5O4
Molecular Weight531.5
XLogP5.1
Topological Polar Surface Area89.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity810
SMILES
CC(C)(C)OC(=O)N1CCN(C(C1)CC2=CC=CC=C2)C(=O)N3C=C(N=N3)C4=CC=C(C=C4)OC(F)(F)F
InChI
InChI=1S/C26H28F3N5O4/c1-25(2,3)38-24(36)32-13-14-33(20(16-32)15-18-7-5-4-6-8-18)23(35)34-17-22(30-31-34)19-9-11-21(12-10-19)37-26(27,28)29/h4-12,17,20H,13-16H2,1-3H3
InChIKey
CQGMWUWJVBKTRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DO34
CAS: 1848233-58-8
CID: 129188708
Formula: C26H28F3N5O4
MW: 531.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight531.5
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass531.20933888
Monoisotopic Mass531.20933888
Topological Polar Surface Area89.8 Ų
Heavy Atom Count38
Formal Charge0
Complexity810
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes