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CHI-KAT8i5

CAT: 0013-GTR19250259-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250259-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CHI-KAT8i5 is a selective KAT8 inhibitor (Kᴅ = 19.72 μM) that induces dose-dependent apoptosis. It has demonstrated antitumor activity in vitro and in vivo against various cancers, including esophageal squamous cell carcinoma, colon cancer, melanoma, gastric cancer, non-small cell lung adenocarcinoma, and liver cancer.
CAS Number
2839860-29-4
Field of Research
Cell Biology, Epigenetics & Chromatin, Metabolism Research
Smiles
O=S (=O) (C=1C=CC=2N=C (SC2C1) C=CC3=CC=C (C (O) =C3) S (=O) (=O) N (CC) CC) N (CC) CC
Molecular Formula
C23H29N3O5S3
Molecular Weight
523.688
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CHI-KAT8i5
CAS Number2839860-29-4
PubChem CID172677348
IUPAC Name2-[(E)-2-[4-(diethylsulfamoyl)-3-hydroxyphenyl]ethenyl]-N,N-diethyl-1,3-benzothiazole-6-sulfonamide
Molecular FormulaC23H29N3O5S3
Molecular Weight523.7
XLogP4.6
Topological Polar Surface Area153
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity892
SMILES
CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)/C=C/C3=CC(=C(C=C3)S(=O)(=O)N(CC)CC)O
InChI
InChI=1S/C23H29N3O5S3/c1-5-25(6-2)33(28,29)18-11-12-19-21(16-18)32-23(24-19)14-10-17-9-13-22(20(27)15-17)34(30,31)26(7-3)8-4/h9-16,27H,5-8H2,1-4H3/b14-10+
InChIKey
BLDLRUKJJGMHBD-GXDHUFHOSA-N
Chemical Structure
2D Structure
2D structure of CHI-KAT8i5
CAS: 2839860-29-4
CID: 172677348
Formula: C23H29N3O5S3
MW: 523.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.7
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass523.12693455
Monoisotopic Mass523.12693455
Topological Polar Surface Area153 Ų
Heavy Atom Count34
Formal Charge0
Complexity892
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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