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MR-2088

CAT: 0013-GTR19234952-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234952-01Size:50 mg
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Description
MR-2088 is a potent and selective small molecule inhibitor of ULK1 (pEC50=8.3) and ULK2 (pEC50=8.7), key kinases initiating autophagy. It is a valuable research tool for studying autophagy pathways in both cellular and in vivo models of cancer and neurodegenerative diseases.
CAS Number
2922531-69-7
Field of Research
Cell Biology
Smiles
C (NCC (F) (F) F) (=O) C1=CC (C=2C=C3C (NC (=C3) C4=CCCNC4) =NC2) =CS1
Molecular Formula
C19H17F3N4OS
Molecular Weight
406.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-[2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CAS Number2922531-69-7
PubChem CID168198579
IUPAC Name4-[2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
Molecular FormulaC19H17F3N4OS
Molecular Weight406.4
XLogP3.1
Topological Polar Surface Area98.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity614
SMILES
C1CNCC(=C1)C2=CC3=CC(=CN=C3N2)C4=CSC(=C4)C(=O)NCC(F)(F)F
InChI
InChI=1S/C19H17F3N4OS/c20-19(21,22)10-25-18(27)16-6-14(9-28-16)13-4-12-5-15(26-17(12)24-8-13)11-2-1-3-23-7-11/h2,4-6,8-9,23H,1,3,7,10H2,(H,24,26)(H,25,27)
InChIKey
BEWNDCDAXDFYBH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[2-(1,2,3,6-tetrahydropyridin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CAS: 2922531-69-7
CID: 168198579
Formula: C19H17F3N4OS
MW: 406.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.4
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass406.10751684
Monoisotopic Mass406.10751684
Topological Polar Surface Area98.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity614
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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