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SH5-07 (SH-5-07)

CAT: 1568-C13055-01Size: 2 mgDry Ice: YesHazardous: No
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CAT#:1568-C13055-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1456632-41-9
SKU
C13055-2mg
Target
STAT
Applications
Apoptosis
Smiles
CN (CC (=O) N (CC1=CC=C (C=C1) C2CCCCC2) C3=CC=C (C=C3) C (=O) NO) S (=O) (=O) C4=C (C (=C (C (=C4F) F) F) F) F
Molecular Formula
C29H28F5N3O5S
Additionnal Information
SH5-07 is a robust hydroxamic acid-based STAT3 inhibitor, which induce antitumor cell effects in vitro and antitumor response in vivo against human glioma and breast cancer models.
Storage Conditions
2 years -80 in solvent

Chemical Information

4-[[(4-Cyclohexylphenyl)methyl][2-[methyl[(2,3,4,5,6-pentafluorophenyl)sulfonyl]amino]acetyl]amino]-N-hydroxybenzamide
CAS Number1456632-41-9
PubChem CID72550504
IUPAC Name4-[(4-cyclohexylphenyl)methyl-[2-[methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]acetyl]amino]-N-hydroxybenzamide
Molecular FormulaC29H28F5N3O5S
Molecular Weight625.6
XLogP5.5
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count43
Formal Charge0
Complexity1030
SMILES
CN(CC(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC=C(C=C3)C(=O)NO)S(=O)(=O)C4=C(C(=C(C(=C4F)F)F)F)F
InChI
InChI=1S/C29H28F5N3O5S/c1-36(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)16-22(38)37(21-13-11-20(12-14-21)29(39)35-40)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h7-14,18,40H,2-6,15-16H2,1H3,(H,35,39)
InChIKey
QPSUYVALAOXFGL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[[(4-Cyclohexylphenyl)methyl][2-[methyl[(2,3,4,5,6-pentafluorophenyl)sulfonyl]amino]acetyl]amino]-N-hydroxybenzamide
CAS: 1456632-41-9
CID: 72550504
Formula: C29H28F5N3O5S
MW: 625.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight625.6
XLogP35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass625.16698299
Monoisotopic Mass625.16698299
Topological Polar Surface Area115 Ų
Heavy Atom Count43
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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