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TUL01101

CAT: 0013-GTR19212150-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212150-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TUL01101 is a potent, selective, and orally bioavailable JAK1 inhibitor (IC50 = 3 nM) . It demonstrates efficacy in in vivo models of autoimmune inflammation and is a key research tool for studying rheumatoid arthritis and related JAK-STAT signaling pathways.
CAS Number
2411222-97-2
Field of Research
Cardiovascular Research, Epigenetics & Chromatin, Signal Transduction, Stem Cell & Developmental Biology
Smiles
C (=O) (N1CC2 (C1) CCC (CC2) C=3N4C (=NC (NC (=O) C5CC5) =N4) C=CC3) [C@H]6C (F) (F) C6
Molecular Formula
C22H25F2N5O2
Molecular Weight
429.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Blovacitinib
CAS Number2411222-97-2
PubChem CID146408604
IUPAC NameN-[5-[2-[(1S)-2,2-difluorocyclopropanecarbonyl]-2-azaspiro[3.5]nonan-7-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
Molecular FormulaC22H25F2N5O2
Molecular Weight429.5
XLogP2.2
Topological Polar Surface Area79.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity759
SMILES
C1CC1C(=O)NC2=NN3C(=N2)C=CC=C3C4CCC5(CC4)CN(C5)C(=O)[C@@H]6CC6(F)F
InChI
InChI=1S/C22H25F2N5O2/c23-22(24)10-15(22)19(31)28-11-21(12-28)8-6-13(7-9-21)16-2-1-3-17-25-20(27-29(16)17)26-18(30)14-4-5-14/h1-3,13-15H,4-12H2,(H,26,27,30)/t15-/m0/s1
InChIKey
ZOUHWHPRPDJDQE-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of Blovacitinib
CAS: 2411222-97-2
CID: 146408604
Formula: C22H25F2N5O2
MW: 429.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.5
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass429.19763138
Monoisotopic Mass429.19763138
Topological Polar Surface Area79.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity759
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

Alternative Products

CatalogName
T73392-01TUL01101
HY-176527(Rac) -TUL01101

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