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IL-17 modulator 4

CAT: 1410-M28072-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M28072-02Size:2 mg
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Description
IL-17 modulator 4 is a prodrug of IL-17 modulator 1 . IL-17 modulator 1 is an orally active, highly efficacious IL-17 modulator.
CAS Number
2446803-65-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
474.6
Molecular Formula
C27H34N6O2
Notes
Research use only, not for human use.
Receptor
IRAK-4|IRAK-1|TAK1|CLK4

Chemical Information

IL-17 modulator 4
CAS Number2446803-65-0
PubChem CID153616520
IUPAC NameN-[(2S)-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-/m0/s1
InChIKey
CQKVACARDGYEMU-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of IL-17 modulator 4
CAS: 2446803-65-0
CID: 153616520
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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Alternative Products

CatalogName
HY-141692-01IL-17 modulator 4
HY-134371IL-17 modulator 2
T40106-01IL-17 modulator 1
T72598-01IL-17 modulator 5
GTR19235112-01IL-17 modulator 9
GTR19188656IL-17 modulator 3
GTR19235114-01IL-17 modulator 8
HY-144373IL-17 modulator 6
T36525-01IL-17 modulator 1 disodium
HY-141692B-01(R) -IL-17 modulator 4

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