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TAK-661

CAT: 0804-HY-159927Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-159927Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TAK-661 is a inhibitor of eosinophil chemotaxis. TAK-661 significantly reduces the bronchoconstriction during the late phase, along with the inhibition of eosinophilia in bronchoalveolar lavage (BAL) and the eosinophil infiltration into the airway wall[1].
CAS Number
175215-34-6
UNSPSC
12352005
Target
CCR
Type
Reference compound
Related Pathways
GPCR/G Protein; Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/tak-661.html
Smiles
O=S(N)(CC(C)(COC1=NN2N=CN=C2C=C1C(C)C)C)=O
Molecular Formula
C13H21N5O3S
Molecular Weight
327.40
References & Citations
[1]K Fujimoto, et al. Effects of an eosinophil chemotaxis inhibitor, TAK-661, on antigen-induced asthmatic responses in allergic sheep. Lung. 2002;180 (3) :161-72.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4VQ8Rba9EW
CAS Number175215-34-6
PubChem CID9840359
IUPAC Name2,2-dimethyl-3-[(7-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)oxy]propane-1-sulfonamide
Molecular FormulaC13H21N5O3S
Molecular Weight327.41
XLogP1.6
Topological Polar Surface Area121
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity477
SMILES
CC(C)C1=CC2=NC=NN2N=C1OCC(C)(C)CS(=O)(=O)N
InChI
InChI=1S/C13H21N5O3S/c1-9(2)10-5-11-15-8-16-18(11)17-12(10)21-6-13(3,4)7-22(14,19)20/h5,8-9H,6-7H2,1-4H3,(H2,14,19,20)
InChIKey
ABSYJOKYMQTMMK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4VQ8Rba9EW
CAS: 175215-34-6
CID: 9840359
Formula: C13H21N5O3S
MW: 327.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.41
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass327.13651072
Monoisotopic Mass327.13651072
Topological Polar Surface Area121 Ų
Heavy Atom Count22
Formal Charge0
Complexity477
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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