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Enpatoran

CAT: 1568-C03634-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C03634-02Size:25 mg
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CAS Number
2101938-42-3
Synonyms
M5049
SKU
C03634-5mg
Target
TLR
Applications
Immunology & Inflammation
Additionnal Information
Enpatoran is a potent, selective inhibitor of Toll-like receptors 7 and 8 (TLR7/8), with IC50 of 11.1 nM and 24.1 nM, respectively, in HEK293 cells. It also demonstrates potential for treating autoimmune diseases.

Chemical Information

Enpatoran

Enpatoran (M5049) was under investigation in clinical trials for various conditions. It was investigated for systemic lupus erythematosus and cutaneous lupus erythematosus in completed trials (NCT04647708 and NCT05162586) and in a recruiting trial (NCT05540327). Additionally, M5049 was studied for COVID-19 pneumonia in a completed trial with results (NCT04448756) and is currently being recruited for a trial involving participants with dermatomyositis and polymyositis (NCT05650567).

CAS Number2101938-42-3
PubChem CID129240620
IUPAC Name5-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile
Molecular FormulaC16H15F3N4
Molecular Weight320.31
XLogP2.7
Topological Polar Surface Area65.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity472
SMILES
C1[C@@H](CN(C[C@@H]1N)C2=C3C=CC=NC3=C(C=C2)C#N)C(F)(F)F
InChI
InChI=1S/C16H15F3N4/c17-16(18,19)11-6-12(21)9-23(8-11)14-4-3-10(7-20)15-13(14)2-1-5-22-15/h1-5,11-12H,6,8-9,21H2/t11-,12+/m0/s1
InChIKey
BJXYHBKEQFQVES-NWDGAFQWSA-N
Chemical Structure
2D Structure
2D structure of Enpatoran
CAS: 2101938-42-3
CID: 129240620
Formula: C16H15F3N4
MW: 320.31
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.31
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass320.12488098
Monoisotopic Mass320.12488098
Topological Polar Surface Area65.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity472
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA6283-25Enpatoran
HY-134581A-01Enpatoran (hydrochloride)
BUP20738-01Enpatoran hydrochloride
463650Enpatoran free base

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