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KCC-07

CAT: 0931-T8554-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T8554-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
315702-75-1
Target
DNA Alkylator/Crosslinker
Related Pathways
DNA Damage/DNA Repair
Purity
0.9993
Bioactivity
KCC-07 is a selective, potent and brain-penetrant inhibitor of methyl-CpG-binding domain protein 2 (MBD2) with anticancer activity. KCC-07 prevents binding of MBD2 to methylated DNA and activates brain specific angiogenesis inhibitor 1 (BAI1) inducing anti-proliferative BAI1/p53/p21 signaling.
Smiles
OC1=CC=CC(NC2=NC(=CS2)C2=NC=CC=C2)=C1
Molecular Formula
C14H11N3OS
Molecular Weight
269.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-[(4-Pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol
CAS Number315702-75-1
PubChem CID704347
IUPAC Name3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol
Molecular FormulaC14H11N3OS
Molecular Weight269.32
XLogP3.1
Topological Polar Surface Area86.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity292
SMILES
C1=CC=NC(=C1)C2=CSC(=N2)NC3=CC(=CC=C3)O
InChI
InChI=1S/C14H11N3OS/c18-11-5-3-4-10(8-11)16-14-17-13(9-19-14)12-6-1-2-7-15-12/h1-9,18H,(H,16,17)
InChIKey
GIGNWEDIMLUWCT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[(4-Pyridin-2-yl-1,3-thiazol-2-yl)amino]phenol
CAS: 315702-75-1
CID: 704347
Formula: C14H11N3OS
MW: 269.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.32
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass269.06228316
Monoisotopic Mass269.06228316
Topological Polar Surface Area86.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity292
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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