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Quecitinib

CAT: 0013-GTR19264203-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264203-02Size:10 mg
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Description
Quecitinib (QY201) is an orally active dual inhibitor of JAK1/TYK2. It acts as a substrate for cytochrome P450 3A, predominantly metabolized into mono-oxidized and glucuronidated products. Quecitinib demonstrates favorable pharmacokinetic properties and safety. It is applicable for research on atopic dermatitis and other autoimmune diseases.
CAS Number
2416858-84-7
Field of Research
Cardiovascular Research, Epigenetics & Chromatin, Metabolism Research, Signal Transduction, Stem Cell & Developmental Biology
Smiles
[C@H] (C) (O) C=1N (C2=C3C (NC=C2N1) =NC=C3) N4CCC (CC#N) CC4
Molecular Formula
C17H20N6O
Molecular Weight
324.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Quecitinib
CAS Number2416858-84-7
PubChem CID156188109
IUPAC Name2-[1-[4-[(1R)-1-hydroxyethyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]piperidin-4-yl]acetonitrile
Molecular FormulaC17H20N6O
Molecular Weight324.4
XLogP1.4
Topological Polar Surface Area93.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity499
SMILES
C[C@H](C1=NC2=CN=C3C(=C2N1N4CCC(CC4)CC#N)C=CN3)O
InChI
InChI=1S/C17H20N6O/c1-11(24)17-21-14-10-20-16-13(3-7-19-16)15(14)23(17)22-8-4-12(2-6-18)5-9-22/h3,7,10-12,24H,2,4-5,8-9H2,1H3,(H,19,20)/t11-/m1/s1
InChIKey
LUQHXRXPKKQUKV-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of Quecitinib
CAS: 2416858-84-7
CID: 156188109
Formula: C17H20N6O
MW: 324.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.4
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass324.16985928
Monoisotopic Mass324.16985928
Topological Polar Surface Area93.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity499
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
T211870-01Quecitinib

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