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NT-0527

CAT: 0013-GTR19272711-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19272711-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NT-0527 is a selective, orally active, and brain-permeable NLRP3 inflammasome inhibitor that inhibits NLRP3-induced IL-1β in human whole blood (IC50 = 0.79 ± 0.4 μM), and can be used for the study of neuroinflammatory diseases.
CAS Number
2771019-10-2
Purity
99.90% (May vary between batches)
Smiles
O=C1C2=CC=C (Cl) C=C2C3 (CN1CC (=O) NC4=NC=C (F) C=N4) CC3
Molecular Formula
C17H14ClFN4O2
Molecular Weight
360.77
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(6-chloro-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(5-fluoropyrimidin-2-yl)acetamide
CAS Number2771019-10-2
PubChem CID163370937
IUPAC Name2-(6-chloro-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(5-fluoropyrimidin-2-yl)acetamide
Molecular FormulaC17H14ClFN4O2
Molecular Weight360.8
XLogP2
Topological Polar Surface Area75.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity551
SMILES
C1CC12CN(C(=O)C3=C2C=C(C=C3)Cl)CC(=O)NC4=NC=C(C=N4)F
InChI
InChI=1S/C17H14ClFN4O2/c18-10-1-2-12-13(5-10)17(3-4-17)9-23(15(12)25)8-14(24)22-16-20-6-11(19)7-21-16/h1-2,5-7H,3-4,8-9H2,(H,20,21,22,24)
InChIKey
IJKUKVUCVMOGHG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(6-chloro-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)-N-(5-fluoropyrimidin-2-yl)acetamide
CAS: 2771019-10-2
CID: 163370937
Formula: C17H14ClFN4O2
MW: 360.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.8
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass360.0789316
Monoisotopic Mass360.0789316
Topological Polar Surface Area75.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity551
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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