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C-Met/HDAC-IN-2

CAT: 0931-T72759-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T72759-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2740495-53-6
Target
Others, Apoptosis, c-Met/HGFR, HDAC
Related Pathways
DNA Damage/DNA Repair, Chromatin/Epigenetic, Apoptosis, Others, Tyrosine Kinase/Adaptors
Bioactivity
C-Met/HDAC-IN-2 is a potent dual inhibitor of c-Met and HDAC, exhibiting IC50 values of 5.40 nM for c-Met and 18.49 nM for HDAC1, respectively. It demonstrates antiproliferative effects on various cancer cell lines, induces G2/M-phase arrest, and triggers apoptosis in HCT-116 cells, making it a promising candidate for anti-cancer resistance research.
Smiles
O(C=1C2=C(C=C(OCCCCCCC(NO)=O)C(OC)=C2)N=CC1)C3=CC=C(NC(=O)C4=NN(C=CC4=O)C5=CC=CC=C5)C=C3
Molecular Formula
C34H33N5O7
Molecular Weight
623.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

c-Met/HDAC-IN-2
CAS Number2740495-53-6
PubChem CID162656698
IUPAC NameN-[4-[7-[7-(hydroxyamino)-7-oxoheptoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-4-oxo-1-phenylpyridazine-3-carboxamide
Molecular FormulaC34H33N5O7
Molecular Weight623.7
XLogP4.9
Topological Polar Surface Area152
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Heavy Atom Count46
Formal Charge0
Complexity1070
SMILES
COC1=CC2=C(C=CN=C2C=C1OCCCCCCC(=O)NO)OC3=CC=C(C=C3)NC(=O)C4=NN(C=CC4=O)C5=CC=CC=C5
InChI
InChI=1S/C34H33N5O7/c1-44-30-21-26-27(22-31(30)45-20-8-3-2-7-11-32(41)38-43)35-18-16-29(26)46-25-14-12-23(13-15-25)36-34(42)33-28(40)17-19-39(37-33)24-9-5-4-6-10-24/h4-6,9-10,12-19,21-22,43H,2-3,7-8,11,20H2,1H3,(H,36,42)(H,38,41)
InChIKey
GHRAGOBMSUDFEQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of c-Met/HDAC-IN-2
CAS: 2740495-53-6
CID: 162656698
Formula: C34H33N5O7
MW: 623.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight623.7
XLogP34.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Exact Mass623.23799841
Monoisotopic Mass623.23799841
Topological Polar Surface Area152 Ų
Heavy Atom Count46
Formal Charge0
Complexity1070
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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