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Navarixin (SCH-527123) - 98%, high purity , Interleukin-8 receptor A antagonist, CAS No.473727-83-2, Interleukin-8 receptor A antagonist
Basic Description
Synonyms
Navarixin | SCH 527123,CAS:473727-83-2 | s8506 | (R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-2-yl)propylamino)-3,4-dioxocyclobut-1-enylamino)benzamide | AC-33600 | Sch527123 | YTA72783 | Q27087854 | SCH 527123 | 2-hydroxy-N,N-dimethyl-3-{2-[[(R)-1-(
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
Navarixin (SCH-527123, MK-7123, PS-291822) is a potent, orally bioavailable CXCR2/CXCR1 antagonist with IC50 values of 2.6 nM and 36 nM, respectively.
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
ANTAGONIST
Mechanism of action
Interleukin-8 receptor A antagonist
Product Description
Information
Navarixin (SCH-527123) Navarixin (SCH-527123, MK-7123, PS-291822) is a potent, orally bioavailable CXCR2/CXCR1 antagonist with IC50 values of 2.6 nM and 36 nM, respectively.
Targets
CXCR2 (Cell-free assay); CXCR1 (Cell-free assay) 2.6 nM; 36 nM
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
Direct Parent
Aminosalicylic acids and derivatives
Alternative Parents
Aminobenzamides Salicylamides Benzamides o-Aminophenols Aniline and substituted anilines Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Secondary alkylarylamines Primary aromatic amines Heteroaromatic compounds Furans Vinylogous amides Tertiary carboxylic acid amides Vinylogous acids Cyclic ketones Amino acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminosalicylic acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Salicylamide - Benzamide - O-aminophenol - Aminophenol - Benzoyl - Aniline or substituted anilines - Aralkylamine - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Secondary aliphatic/aromatic amine - Primary aromatic amine - Furan - Vinylogous amide - Vinylogous acid - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Cyclic ketone - Oxacycle - Carboxylic acid derivative - Secondary amine - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Amine - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminosalicylic acids and derivatives. These are salicylic acids or derivatives carrying an amino group on the benzene ring.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Product Properties
ALogP
1.635
hba_count
4
HBD Count
3
Rotatable Bond
7
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504765011
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504765011
IUPAC Name
2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzamide
INCHI
InChI=1S/C21H23N3O5/c1-5-13(15-10-9-11(2)29-15)22-16-17(20(27)19(16)26)23-14-8-6-7-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3/t13-/m1/s1
InChIKey
RXIUEIPPLAFSDF-CYBMUJFWSA-N
Smiles
CCC(C1=CC=C(O1)C)NC2=C(C(=O)C2=O)NC3=CC=CC(=C3O)C(=O)N(C)C
Isomeric SMILES
CC[C@H](C1=CC=C(O1)C)NC2=C(C(=O)C2=O)NC3=CC=CC(=C3O)C(=O)N(C)C
Molecular Weight
397.42
Reaxy-Rn
15813721
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15813721&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solubility (25°C) In vitro DMSO: 79 mg/mL (198.78 mM); Ethanol: 79 mg/mL (198.78 mM); Water: Insoluble;
DMSO(mg / mL) Max Solubility
79
DMSO(mM) Max Solubility
198.78214483418
Water(mg / mL) Max Solubility
＜1
Molecular Weight
397.400 g/mol
XLogP3
3.100
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
7
Exact Mass
397.164 Da
Monoisotopic Mass
397.164 Da
Topological Polar Surface Area
112.000 Ų
Heavy Atom Count
29
Formal Charge
0
Complexity
704.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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K2214750