ChemicalBook--->CAS DataBase List--->1314212-39-9

1314212-39-9

1314212-39-9 Structure

1314212-39-9 Structure
IdentificationBack Directory
[Name]

N-(4-(aminomethyl)-2,6-dimethylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide(CYM50358)
[CAS]

1314212-39-9
[Synonyms]

CYM50358
CYM50358 >=98% (HPLC)
N-(4-(Aminomethyl)-2,6-dimethylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
N-(4-(aminomethyl)-2,6-dimethylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide(CYM50358)
[Molecular Formula]

C20H18Cl2N2O2
[MDL Number]

MFCD28386025
[MOL File]

1314212-39-9.mol
[Molecular Weight]

389.28
Chemical PropertiesBack Directory
[Boiling point ]

463.5±45.0 °C(Predicted)
[density ]

1.329±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : 125 mg/mL (321.11 mM; Need ultrasonic)
[form ]

Solid
[pka]

12.40±0.70(Predicted)
[color ]

Off-white to yellow
[InChI]

1S/C20H18Cl2N2O2/c1-11-7-13(10-23)8-12(2)19(11)24-20(25)18-6-5-17(26-18)15-9-14(21)3-4-16(15)22/h3-9H,10,23H2,1-2H3,(H,24,25)
[InChIKey]

QWJOPXDAQCDRRM-UHFFFAOYSA-N
[SMILES]

CC1=CC(=CC(=C1NC(=O)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl)C)CN
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H319-H413
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

CYM50358 is a potent and selective S1PR4 antagonist, with an IC50 of 25 nM. CYM50358 can be used for the research of influenza infection[1][2].
[Biological Activity]

CYM50358 is a potent and selective S1PR4 antagonist, with an IC50 of 25 nM. CYM50358 can be used for the research of influenza infection[1][2]. CYM50358 shows less potent inhibition of S1PR1 (IC50=6.4 μM)[1].CYM50358 (10 μM) has no effect on the collagen-induced HSP27 phosphorylation, markedly reverses the suppressive effect of S1P on the collagen-induced phosphorylation of HSP27[2].
[IC 50]

S1PR4: 25 nM (IC50)
[References]

[1]. Guerrero M, et, al. Discovery, design and synthesis of the first reported potent and selective sphingosine-1-phosphate 4 (S1P4) receptor antagonists. Bioorg Med Chem Lett. 2011 Jun 15;21(12):3632-6. [2]. Onuma T, et, al. Sphingosine 1-phosphate (S1P) suppresses the collagen-induced activation of human platelets via S1P4 receptor. Thromb Res. 2017 Aug;156:91-100.
Spectrum DetailBack Directory
[Spectrum Detail]

N-(4-(aminomethyl)-2,6-dimethylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide(CYM50358)(1314212-39-9)1HNMR
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