(R)-2-Hydroxy-3-((2-((1-(4-isopropylfuran-2-yl)propyl)amino)-3,4-dioxocyclobut-1-en-1-yl)amino)-N,N-dimethylbenzamide

Base Information

• Chemical Name: (R)-2-Hydroxy-3-((2-((1-(4-isopropylfuran-2-yl)propyl)amino)-3,4-dioxocyclobut-1-en-1-yl)amino)-N,N-dimethylbenzamide
• CAS No.: 473728-58-4
• Molecular Formula: C23H27N3O5
• Molecular Weight: 425.48
• DSSTox Substance ID: DTXSID90437927
• Pharos Ligand ID: U7KTGTRHRGA9
• ChEMBL ID: CHEMBL246108
• Mol file: 473728-58-4.mol

Synonyms:SCH 563705;473728-58-4;SCH-563705;(R)-2-Hydroxy-3-((2-((1-(4-isopropylfuran-2-yl)propyl)amino)-3,4-dioxocyclobut-1-en-1-yl)amino)-N,N-dimethylbenzamide;CHEMBL246108;CC(C1=COC([C@H](NC2=C(C(C2=O)=O)NC3=CC=CC(C(N(C)C)=O)=C3O)CC)=C1)C;3-[[3,4-Dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;CS-0833;SCHEMBL12086761;DTXSID90437927;DGKQQEVYYPCMNE-OAHLLOKOSA-N;BDBM50211458;AKOS015856220;AKOS016009722;NCGC00379077-01;(R)-2-hydroxy-3-(2-(1-(4-isopropylfuran-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)-N,N-dimethylbenzamide;HY-10011;MS-27493;3-{[3,4-Dioxo-2-({(1R)-1-[4-(propan-2-yl)furan-2-yl]propyl}amino)cyclobut-1-en-1-yl]amino}-2-hydroxy-N,N-dimethylbenzamide

Chemical Property of (R)-2-Hydroxy-3-((2-((1-(4-isopropylfuran-2-yl)propyl)amino)-3,4-dioxocyclobut-1-en-1-yl)amino)-N,N-dimethylbenzamide

Chemical Property:

• Vapor Pressure: 5.79E-13mmHg at 25°C
• Refractive Index: 1.615
• Boiling Point: 555.9 °C at 760 mmHg
• Flash Point: 290 °C
• PSA: 111.88000
• Density: 1.29 g/cm³
• LogP: 3.79050
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 425.19507097
• Heavy Atom Count: 31
• Complexity: 748

Purity/Quality:

2-Hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-[4-(1-methylethyl)-2-furanyl]propyl]amino]-3,4-dioxo-1-cyclobuten-1-yl]amino]benzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C1=CC(=CO1)C(C)C)NC2=C(C(=O)C2=O)NC3=CC=CC(=C3O)C(=O)N(C)C
• Isomeric SMILES: CC[C@H](C1=CC(=CO1)C(C)C)NC2=C(C(=O)C2=O)NC3=CC=CC(=C3O)C(=O)N(C)C
• Uses: 2-Hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-[4-(1-methylethyl)-2-furanyl]propyl]amino]-3,4-dioxo-1-cyclobuten-1-yl]amino]benzamide is a CXCR2/CXCR1 antagonist that has therapeutic potential for targeting CXCR2/CXCR1 in human arthritides.