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(R) -IL-17 modulator 4

CAT: 0804-HY-141692B-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-141692B-01Size:5 mg
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Description
(R) -IL-17 modulator 4 is the R-configure of IL-17 modulator 4. IL-17 modulator 4 is a proagent of IL-17 modulator 1 (HY-141535). IL-17 modulator 1 is an orally active, highly efficacious IL-17 modulator. IL-17 modulator 4 is promising for the research of IL-17A mediated diseases, including inflammation, autoimmune diseases, infectious diseases, cancer, and precancerous syndrome[1][2].
CAS Number
2446804-29-9
UNSPSC
12352005
Target
Interleukin Related
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/r-il-17-modulator-4.html
Concentration
10mM
Purity
99.56
Solubility
DMSO : 100 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(C1=CC=NN1C(C)C)N[C@@H](C(NC2=CC=C(C3=C(C)NN=C3C)C=C2)=O)C(C4CC4)C5CC5
Molecular Formula
C27H34N6O2
Molecular Weight
474.60
References & Citations
[1]Kevin Neil Dack, et al. Amino-acid anilides as small molecule modulators of il-17. WO2020127685A1.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
IL-17

Chemical Information

(R)-IL-17 modulator 4
CAS Number2446804-29-9
PubChem CID156779323
IUPAC NameN-[(2R)-1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
Molecular FormulaC27H34N6O2
Molecular Weight474.6
XLogP4.7
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity749
SMILES
CC1=C(C(=NN1)C)C2=CC=C(C=C2)NC(=O)[C@@H](C(C3CC3)C4CC4)NC(=O)C5=CC=NN5C(C)C
InChI
InChI=1S/C27H34N6O2/c1-15(2)33-22(13-14-28-33)26(34)30-25(24(19-5-6-19)20-7-8-20)27(35)29-21-11-9-18(10-12-21)23-16(3)31-32-17(23)4/h9-15,19-20,24-25H,5-8H2,1-4H3,(H,29,35)(H,30,34)(H,31,32)/t25-/m1/s1
InChIKey
CQKVACARDGYEMU-RUZDIDTESA-N
Chemical Structure
2D Structure
2D structure of (R)-IL-17 modulator 4
CAS: 2446804-29-9
CID: 156779323
Formula: C27H34N6O2
MW: 474.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.6
XLogP34.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass474.27432435
Monoisotopic Mass474.27432435
Topological Polar Surface Area105 Ų
Heavy Atom Count35
Formal Charge0
Complexity749
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

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