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MF-592

CAT: 0013-GTR19208605-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208605-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MF-592 is a potent and selective EP4 receptor antagonist with nanomolar in vitro activity, including inhibition of TNFα release in human whole blood. It exhibits excellent oral pharmacokinetics and demonstrated significant in vivo efficacy in a rat model of chronic arthritis, supporting its potential for inflammatory disease research.
CAS Number
1064195-48-7
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
O (CC) C1=C2C (=C (OCC) C=3C1=CC=CC3) CN (C2=O) C4=C (C) C=C (CC5 (NC (NS (=O) (=O) C6=C (Cl) C=CC=C6Cl) =O) CC5) C=C4
Molecular Formula
C34H33Cl2N3O6S
Molecular Weight
682.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,6-dichloro-N-(1-(4-(4,9-diethoxy-1-oxo-1H-benzo[f]isoindol-2(3H)-yl)-3-methylbenzyl)cyclopropylcarbamoyl)benzenesulfonamide
CAS Number1064195-48-7
PubChem CID25018911
IUPAC Name1-(2,6-dichlorophenyl)sulfonyl-3-[1-[[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)-3-methylphenyl]methyl]cyclopropyl]urea
Molecular FormulaC34H33Cl2N3O6S
Molecular Weight682.6
XLogP7.5
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count46
Formal Charge0
Complexity1200
SMILES
CCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCC)C4=C(C=C(C=C4)CC5(CC5)NC(=O)NS(=O)(=O)C6=C(C=CC=C6Cl)Cl)C
InChI
InChI=1S/C34H33Cl2N3O6S/c1-4-44-29-22-9-6-7-10-23(22)30(45-5-2)28-24(29)19-39(32(28)40)27-14-13-21(17-20(27)3)18-34(15-16-34)37-33(41)38-46(42,43)31-25(35)11-8-12-26(31)36/h6-14,17H,4-5,15-16,18-19H2,1-3H3,(H2,37,38,41)
InChIKey
PSHRSSJDIYJFKV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-dichloro-N-(1-(4-(4,9-diethoxy-1-oxo-1H-benzo[f]isoindol-2(3H)-yl)-3-methylbenzyl)cyclopropylcarbamoyl)benzenesulfonamide
CAS: 1064195-48-7
CID: 25018911
Formula: C34H33Cl2N3O6S
MW: 682.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight682.6
XLogP37.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass681.1467123
Monoisotopic Mass681.1467123
Topological Polar Surface Area122 Ų
Heavy Atom Count46
Formal Charge0
Complexity1200
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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