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AZ-3

CAT: 0013-GTR19206528-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206528-02Size:50 mg
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Description
AZ-3 is a highly selective small molecule inhibitor targeting JAK1 with an IC50 of 34 nM. This compound is a valuable research tool for investigating JAK-STAT signaling in immunological and inflammatory disease models, applicable in both cellular and in vivo studies.
CAS Number
2228908-91-4
Field of Research
Cardiovascular Research, Epigenetics & Chromatin, Signal Transduction, Stem Cell & Developmental Biology
Smiles
CN1C[C@]2 (N (C[C@@]1 (C2) [H]) C=3C=C (NC=4N=C (N[C@@H] (CC) C) C (C) =CN4) C (F) =NC3) [H]
Molecular Formula
C20H28FN7
Molecular Weight
385.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-N-[(2R)-butan-2-yl]-2-N-[2-fluoro-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-5-methylpyrimidine-2,4-diamine
CAS Number2228908-91-4
PubChem CID138319690
IUPAC Name4-N-[(2R)-butan-2-yl]-2-N-[2-fluoro-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-5-methylpyrimidine-2,4-diamine
Molecular FormulaC20H28FN7
Molecular Weight385.5
XLogP3.6
Topological Polar Surface Area69.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity523
SMILES
CC[C@@H](C)NC1=NC(=NC=C1C)NC2=C(N=CC(=C2)N3C[C@@H]4C[C@H]3CN4C)F
InChI
InChI=1S/C20H28FN7/c1-5-13(3)24-19-12(2)8-23-20(26-19)25-17-7-14(9-22-18(17)21)28-11-15-6-16(28)10-27(15)4/h7-9,13,15-16H,5-6,10-11H2,1-4H3,(H2,23,24,25,26)/t13-,15+,16+/m1/s1
InChIKey
UPSHDXGMMFOWPL-KBMXLJTQSA-N
Chemical Structure
2D Structure
2D structure of 4-N-[(2R)-butan-2-yl]-2-N-[2-fluoro-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-5-methylpyrimidine-2,4-diamine
CAS: 2228908-91-4
CID: 138319690
Formula: C20H28FN7
MW: 385.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.5
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass385.23902208
Monoisotopic Mass385.23902208
Topological Polar Surface Area69.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity523
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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