Products for Research Use Only
RegisterLogin

MF-592

CAT: 0931-T71510-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T71510-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1064195-48-7
Target
Others, Prostaglandin Receptor
Related Pathways
Immunology/Inflammation, GPCR/G Protein, Others
Bioactivity
MF-592 is a potent and selective antagonists of the EP4 receptor. MF-592 demonstrated good functional potency (hEP4 IC50 = 3 nM) and potent inhibition of PGE2 modulated TNFa release in LPS stimulated human whole blood (hWB) (IC50 = 78nM) . In addition, it showed an excellent oral pharmacokinetic (PK) profile and in vivo efficacy in a rat chronic adjuvant-induced-arthritis model (ED50 = 0.1 mg/kg/day) .. MF-592 has a desirable overall preclinical profile that suggests it is suitable for further development.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

Related Products

CatalogName
T12024-01MF-094
T16068-01MF-438
T70465-01Mf 268
T69744-01MF-095
T203158-01MF 961
T9622-01MF-766
T12026-01MF 5137
T33372-01MF 13
T212055-01MF-DH-300
T211446-01Topi MF-6

Alternative Products

CatalogName
GTR19208605-01MF-592
BA3880-50MF-094
BA5704-25MF-766
BA8354-5MF-438
SKB54943-01MF 63
HY-138978MF-095
456182-01MF 498
6718/5(+/-)-MF 094
MBS5782917MF 13
GTR19205410-01MF 5137

Popular Products