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SH-4-54

SH-4-54 structure

CAS No:
1456632-40-8
Formula:
C29H27F5N2O5S
Chemical Name:
SH-4-54
Synonyms:
4-[[(4-cyclohexylphenyl)methyl][2-[methyl[(2,3,4,5,6-pentafluorophenyl)sulfonyl]amino]acetyl]amino]-benzoic acid;4-[[(4-cyclohexylphenyl)methyl][2-[methyl[(2,3,4,5,6-pentafluorophenyl)sulfonyl]amino]acetyl]amino]-Benzoic Acid SH-4-54;Benzoic acid, 4-[[(4-cyclohexylphenyl)methyl][2-[methyl[(2,3,4,5,6-pentafluorophenyl)sulfonyl]amino]acetyl]amino]-
Categories:
Biochemical Engineering > Inhibitors

Description

SH-4-54 is a most potent, small molecule, nonphosphorylated STAT inhibitor, with KDs of 300, 464 nM for STAT3 and STAT5, respectively.

SH-4-54 Basic Attributes

Molecular Weight：

610.596

Exact Mass：

610.156067

Characteristics

PSA：

103

XLogP3：

6.2

Density：

1.431±0.06 g/cm3(Predicted)

Boiling Point：

717.2±70.0 °C(Predicted)

Flash Point：

387.5±35.7 °C

Refractive Index：

1.590

Water Solubility：

H2O: Insuluble (2.6E-5 g/L) (25 ºC)

Computed Properties

Molecular Weight:610.6
XLogP3:6.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:9
Exact Mass:610.15608395
Monoisotopic Mass:610.15608395
Topological Polar Surface Area:103
Heavy Atom Count:42
Complexity:1010
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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