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AZD4144

CAT: 0013-GTR19236202-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236202-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AZD4144 is a potent, selective NLRP3 inflammasome inhibitor (IC50 = 54 nM) that competitively displaces MCC950. It effectively reduces IL-1β and IL-18 release in cellular assays and is a valuable research tool for studying NLRP3-driven pathologies like inflammatory and autoimmune diseases in both in vitro and in vivo models.
CAS Number
2890191-41-8
Field of Research
Immunology & Inflammation, Signal Transduction
Purity
99.02% (May vary between batches)
Solubility
DMSO:100 mg/mL (263.62 mM)
Smiles
OC1=C (C=2C3=C (C (NC[C@@H] (CO) O) =NN2) C=CC=C3) C=CC (C (F) (F) F) =C1
Molecular Formula
C18H16F3N3O3
Molecular Weight
379.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S)-3-[[4-[2-hydroxy-4-(trifluoromethyl)phenyl]phthalazin-1-yl]amino]propane-1,2-diol
CAS Number2890191-41-8
PubChem CID166456099
IUPAC Name(2S)-3-[[4-[2-hydroxy-4-(trifluoromethyl)phenyl]phthalazin-1-yl]amino]propane-1,2-diol
Molecular FormulaC18H16F3N3O3
Molecular Weight379.3
XLogP2.9
Topological Polar Surface Area98.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity483
SMILES
C1=CC=C2C(=C1)C(=NN=C2NC[C@@H](CO)O)C3=C(C=C(C=C3)C(F)(F)F)O
InChI
InChI=1S/C18H16F3N3O3/c19-18(20,21)10-5-6-14(15(27)7-10)16-12-3-1-2-4-13(12)17(24-23-16)22-8-11(26)9-25/h1-7,11,25-27H,8-9H2,(H,22,24)/t11-/m0/s1
InChIKey
CEGVLCNHZDUFIJ-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of (2S)-3-[[4-[2-hydroxy-4-(trifluoromethyl)phenyl]phthalazin-1-yl]amino]propane-1,2-diol
CAS: 2890191-41-8
CID: 166456099
Formula: C18H16F3N3O3
MW: 379.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.3
XLogP32.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass379.11437587
Monoisotopic Mass379.11437587
Topological Polar Surface Area98.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity483
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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