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SPHINX31 - 98%, high purity , CAS No.1818389-84-2
Serine/threonin kinase Inhibitors
Basic Description
Synonyms
2-Furancarboxamide,5-(4-pyridinyl)-N-[2-[4-(2-pyridinylmethyl)-1-piperazinyl]-5-(trifluoromethyl)phenyl]- | N-(2-(4-(pyridin-2-ylmethyl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)-5-(pyridin-4-yl)furan-2-carboxamide
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
SPHINX31 is a SRPK1 inhibiror with an IC50 of 5.9 nM with highly selectivity for SRPK1 over SRPK2 (50-fold) and CLK1 (100-fold).
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.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Anilides
Intermediate Tree Nodes
Aromatic anilides - Furanilides
Direct Parent
2-furanilides
Alternative Parents
Phenylpiperazines N-arylpiperazines Trifluoromethylbenzenes 2-heteroaryl carboxamides 2-pyridylmethylamines Aniline and substituted anilines Furoic acid and derivatives Dialkylarylamines N-alkylpiperazines Aralkylamines Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-furanilide - N-arylpiperazine - Phenylpiperazine - Trifluoromethylbenzene - 2-heteroaryl carboxamide - Dialkylarylamine - Aniline or substituted anilines - Tertiary aliphatic/aromatic amine - Furoic acid or derivatives - 2-pyridylmethylamine - Aralkylamine - N-alkylpiperazine - Pyridine - Piperazine - 1,4-diazinane - Heteroaromatic compound - Furan - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Amine - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-furanilides. These are aromatic heterocyclic compounds contaning a furan ring that is substituted at the 2-position with an anilide.
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
4.378
HBD Count
1
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
504772705
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504772705
IUPAC Name
5-pyridin-4-yl-N-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
INCHI
InChI=1S/C27H24F3N5O2/c28-27(29,30)20-4-5-23(35-15-13-34(14-16-35)18-21-3-1-2-10-32-21)22(17-20)33-26(36)25-7-6-24(37-25)19-8-11-31-12-9-19/h1-12,17H,13-16,18H2,(H,33,36)
InChIKey
VURLRACCOCGFDB-UHFFFAOYSA-N
Smiles
C1CN(CCN1CC2=CC=CC=N2)C3=C(C=C(C=C3)C(F)(F)F)NC(=O)C4=CC=C(O4)C5=CC=NC=C5
Isomeric SMILES
C1CN(CCN1CC2=CC=CC=N2)C3=C(C=C(C=C3)C(F)(F)F)NC(=O)C4=CC=C(O4)C5=CC=NC=C5
PubChem CID
91972002
Molecular Weight
507.51
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solubility (25°C) In vitro DMSO: 25 mg/mL (49.26 mM); Ethanol: 13 mg/mL (25.61 mM); Water: Insoluble;
DMSO(mg / mL) Max Solubility
25
DMSO(mM) Max Solubility
49.2601131012197
Water(mg / mL) Max Solubility
＜1
Molecular Weight
507.500 g/mol
XLogP3
4.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
Rotatable Bond Count
6
Exact Mass
507.188 Da
Monoisotopic Mass
507.188 Da
Topological Polar Surface Area
74.500 Ų
Heavy Atom Count
37
Formal Charge
0
Complexity
742.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
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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C23081332