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IL-17A inhibitor 2

CAT: 0931-T40116Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T40116Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2452464-77-4
Target
Others, Interleukin
Related Pathways
Others, Immunology/Inflammation
Bioactivity
IL-17A inhibitor 2 is a compound used for treating psoriasis, rheumatoid arthritis, and multiple sclerosis by inhibiting IL-17A.
Smiles
COC[C@@H](N1CC(NC1=O)C(F)(F)F)c1cnn2cc(nc2c1)[C@@H](NC(=O)c1nonc1C(F)F)C1CCC(F)(F)CC1 |@:10,35|
Molecular Formula
C24H25F7N8O4
Molecular Weight
622.505
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

IL-17A inhibitor 2
CAS Number2452464-77-4
PubChem CID154642705
IUPAC NameN-[(S)-(4,4-difluorocyclohexyl)-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-(difluoromethyl)-1,2,5-oxadiazole-3-carboxamide
Molecular FormulaC24H25F7N8O4
Molecular Weight622.5
XLogP2.1
Topological Polar Surface Area140
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Heavy Atom Count43
Formal Charge0
Complexity1000
SMILES
COC[C@H](C1=CC2=NC(=CN2N=C1)[C@H](C3CCC(CC3)(F)F)NC(=O)C4=NON=C4C(F)F)N5C[C@H](NC5=O)C(F)(F)F
InChI
InChI=1S/C24H25F7N8O4/c1-42-10-14(38-9-15(24(29,30)31)34-22(38)41)12-6-16-33-13(8-39(16)32-7-12)17(11-2-4-23(27,28)5-3-11)35-21(40)19-18(20(25)26)36-43-37-19/h6-8,11,14-15,17,20H,2-5,9-10H2,1H3,(H,34,41)(H,35,40)/t14-,15+,17+/m1/s1
InChIKey
XIIADHFRZOYRQU-VYDXJSESSA-N
Chemical Structure
2D Structure
2D structure of IL-17A inhibitor 2
CAS: 2452464-77-4
CID: 154642705
Formula: C24H25F7N8O4
MW: 622.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight622.5
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Exact Mass622.18869844
Monoisotopic Mass622.18869844
Topological Polar Surface Area140 Ų
Heavy Atom Count43
Formal Charge0
Complexity1000
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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Alternative Products

CatalogName
NBP2-29362-0.01gCelastrol, IL-17A (IL-17A Inhibitor)
HY-139686-01IL-17A inhibitor 2
GTR19240390-01IL-17A inhibitor 3
CYD46473-01Il-17a inhibitor 1
HY-169306IL-17A inhibitor 4
79891-1IL-17RA:IL-17A[Biotinylated] Inhibitor Screening Assay Kit
79891IL-17RA:IL-17A[Biotin] Inhibitor Screening Assay Kit
72060-2IL-17RA[Biotinylated]:IL-17A Inhibitor Screening Assay Kit
EP-140-96testsIL-17A : IL-17RA [Biotinylated] Inhibitor Screening ELISA Kit
EP-139-96testsIL-17A [Biotinylated] : IL-17RA Inhibitor Screening ELISA Kit

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