Enpatoran

CAT: 1568-C03634-01Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1568-C03634-01Size:5 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

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 Number	2101938-42-3
PubChem CID	129240620
IUPAC Name	5-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile
Molecular Formula	C16H15F3N4
Molecular Weight	320.31
XLogP	2.7
Topological Polar Surface Area	65.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Heavy Atom Count	23
Formal Charge	0
Complexity	472

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

CAS: 2101938-42-3

CID: 129240620

Formula: C16H15F3N4

MW: 320.31

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	320.31
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	320.12488098
Monoisotopic Mass	320.12488098
Topological Polar Surface Area	65.9 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	472
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

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

Enpatoran

Chemical Information

Alternative Products

Popular Products