Introduction：Basic information about CAS 1456632-40-8|SH-4-54, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | SH-4-54 |
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| CAS Number | 1456632-40-8 | Molecular Weight | 610.592 |
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| Density | 1.431±0.06 g/cm3 | Boiling Point | 717.2±70.0 °C at 760 mmHg |
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| Molecular Formula | C29H27F5N2O5S | Melting Point | / |
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| MSDS | / | Flash Point | 387.5±35.7 °C |
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Names
| Name | Benzoic acid, 4-[[(4-cyclohexylphenyl)methyl][2-[methyl[(2,3,4,5,6-pentafluorophenyl)sulfonyl]amino]acetyl]amino]- |
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| Synonym | More Synonyms |
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SH-4-54 BiologicalActivity
| Description | SH-4-54 is a most potent, small molecule, nonphosphorylated STAT inhibitor, with KDs of 300, 464 nM for STAT3 and STAT5, respectively. |
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| Related Catalog | Signaling Pathways >>JAK/STAT Signaling >>STATSignaling Pathways >>Stem Cell/Wnt >>STATResearch Areas >>Cancer |
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| Target | STAT3:300 nM (Kd) STAT5:464 nM (Kd) |
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| In Vitro | SH-4-54 potently kills glioblastoma brain cancer stem cells (BTSCs) and effectively suppresses STAT3 phosphorylation and its downstream transcriptional targets at low nM concentrations.SH-4-54 shows unprecedented cytotoxicity in human BTSCs, displays no toxicity in human fetal astrocytes, potently suppresses pSTAT3 with nanomolar IC50s, inhibiting STAT3's downstream targets, and shows no discernible off-target effects at therapeutic doses[1]. |
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| In Vivo | SH-4-54 exhibits blood-brain barrier permeability potently controls glioma tumor growth, and inhibits pSTAT3 in vivo. SH-4-54 demonstrates the power of STAT3 inhibitors for the treatment of BTSCs and validates the therapeutic efficacy of a STAT3 inhibitor for GBM clinical application.SH-4-54 decreases pSTAT3 expression in tumor cells of treated mice. SH-4-54 appears to decrease proliferation and increase apoptosis of treated tumors[1]. |
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| References | [1]. Haftchenary S, et al. Potent Targeting of the STAT3 Protein in Brain Cancer Stem Cells: A Promising Route for Treating Glioblastoma. ACS Med Chem Lett. 2013 Sep 8;4(11):1102-1107. |
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Chemical & Physical Properties
| Density | 1.431±0.06 g/cm3 |
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| Boiling Point | 717.2±70.0 °C at 760 mmHg |
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| Molecular Formula | C29H27F5N2O5S |
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| Molecular Weight | 610.592 |
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| Flash Point | 387.5±35.7 °C |
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| Exact Mass | 610.156067 |
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| PSA | 103.37000 |
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| LogP | 7.64 |
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| Vapour Pressure | 0.0±2.4 mmHg at 25°C |
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| Index of Refraction | 1.590 |
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| InChIKey | VFPYGNNOSJWBHF-UHFFFAOYSA-N |
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| SMILES | CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F |
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| Storage condition | -20℃ |
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| Water Solubility | Insuluble (2.6E-5 g/L) (25 ºC) |
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Synonyms
| 4-[(4-Cyclohexylbenzyl){N-methyl-N-[(pentafluorophenyl)sulfonyl]glycyl}amino]benzoic acid |
| Benzoic acid, 4-[[(4-cyclohexylphenyl)methyl][2-[methyl[(2,3,4,5,6-pentafluorophenyl)sulfonyl]amino]acetyl]amino]- |
| SH-4-54 |
| 4-[[(4-Cyclohexylphenyl)methyl][2-[methyl[(2,3,4,5,6-pentafluorophenyl)sulfonyl]amino]acetyl]amino]benzoic acid |
