Emlenoflast

CAT: 1410-M23899-01Size: 1 EachDry Ice: NoHazardous: No

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Description

Emlenoflast is a potent and selective inhibitor of NLRP3 inflammasome.

CAS Number

1995067-59-8

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

388.48

Molecular Formula

C19H24N4O3S

Notes

Research use only, not for human use.

Receptor

NLRP3

Chemical Information

Emlenoflast

CAS Number	1995067-59-8
PubChem CID	122480653
IUPAC Name	1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
Molecular Formula	C19H24N4O3S
Molecular Weight	388.5
XLogP	3.6
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	642

SMILES

CC(C)N1C=CC(=N1)S(=O)(=O)NC(=O)NC2=C3CCCC3=CC4=C2CCC4

InChI

InChI=1S/C19H24N4O3S/c1-12(2)23-10-9-17(21-23)27(25,26)22-19(24)20-18-15-7-3-5-13(15)11-14-6-4-8-16(14)18/h9-12H,3-8H2,1-2H3,(H2,20,22,24)

InChIKey

MTOUOUSKXWSTAX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1995067-59-8

CID: 122480653

Formula: C19H24N4O3S

MW: 388.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	388.5
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	388.15691181
Monoisotopic Mass	388.15691181
Topological Polar Surface Area	101 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	642
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19165697-01	Emlenoflast
T9222L-01	Emlenoflast sodium
HY-137245A-01	Emlenoflast (sodium)
E1213-5mg	Emlenoflast (MCC-7840)
GTR19178128-01	Emlenoflast sodium (MCC7840 sodium)