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AZD3988

CAT: 0804-HY-50861-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-50861-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AZD3988 is an orally active diacylglycerol acyl transferase-1 (DGAT-1) inhibitor. AZD3988 has excellent DGAT-1 (human) potency with an IC50 value of 0. 6 nM. AZD3988 can be used for the research of metabolic diseases such as diabetes, obesity[1].
CAS Number
892489-52-0
UNSPSC
12352005
Target
Acyltransferase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/azd3988.html
Concentration
10mM
Purity
99.89
Solubility
DMSO : 16.67 mg/mL (ultrasonic)
Smiles
O=C(NC1=CC=C(C=C1)[C@H](CC2)CC[C@@H]2CC(O)=O)C3=NN=C(NC4=CC=C(C(F)=C4)F)O3
Molecular Formula
C23H22F2N4O4
Molecular Weight
456.44
References & Citations
[1]McCoull W, et al. Identification, optimisation and in vivo evaluation of oxadiazole DGAT-1 inhibitors for the treatment of obesity and diabetes. Bioorg Med Chem Lett. 2012 Jun 15;22 (12) :3873-8.
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

Trans-4-[4-[[[5-[(3,4-difluorophenyl)amino]-1,3,4-oxadiazol-2-yl]carbonyl]amino]phenyl]cyclohexaneacetic acid

See also: Azd3988 (annotation moved to).

CAS Number892489-52-0
PubChem CID23648867
IUPAC Name2-[4-[4-[[5-(3,4-difluoroanilino)-1,3,4-oxadiazole-2-carbonyl]amino]phenyl]cyclohexyl]acetic acid
Molecular FormulaC23H22F2N4O4
Molecular Weight456.4
XLogP4.7
Topological Polar Surface Area117
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity671
SMILES
C1CC(CCC1CC(=O)O)C2=CC=C(C=C2)NC(=O)C3=NN=C(O3)NC4=CC(=C(C=C4)F)F
InChI
InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)
InChIKey
NGEBYTLALFOQKI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trans-4-[4-[[[5-[(3,4-difluorophenyl)amino]-1,3,4-oxadiazol-2-yl]carbonyl]amino]phenyl]cyclohexaneacetic acid
CAS: 892489-52-0
CID: 23648867
Formula: C23H22F2N4O4
MW: 456.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.4
XLogP34.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass456.16091152
Monoisotopic Mass456.16091152
Topological Polar Surface Area117 Ų
Heavy Atom Count33
Formal Charge0
Complexity671
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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T14375-01AZD3988
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