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C-Met/HDAC-IN-3

CAT: 0013-GTR19213423-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19213423-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
C-Met/HDAC-IN-3 is a potent dual inhibitor of c-Met (IC50=12.50 nM) and HDAC1 (IC50=26.97 nM) . It promotes apoptosis and induces G2/M phase cell cycle arrest, making it a useful chemical probe for oncology research investigating these pathways in cellular models.
CAS Number
2439175-23-0
Field of Research
Cell Biology, Epigenetics & Chromatin, Molecular Biology, Signal Transduction
Smiles
O (C=1C2=C (C=C (OCCCCCCC (NO) =O) C (OC) =C2) N=CC1) C3=CC=C (NC (=O) C4C (=O) N (CC4) C5=CC=C (F) C=C5) C=C3
Molecular Formula
C34H35FN4O7
Molecular Weight
630.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

c-Met/HDAC-IN-3
CAS Number2439175-23-0
PubChem CID164886625
IUPAC Name1-(4-fluorophenyl)-N-[4-[7-[7-(hydroxyamino)-7-oxoheptoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-2-oxopyrrolidine-3-carboxamide
Molecular FormulaC34H35FN4O7
Molecular Weight630.7
XLogP4.7
Topological Polar Surface Area139
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Heavy Atom Count46
Formal Charge0
Complexity991
SMILES
COC1=CC2=C(C=CN=C2C=C1OCCCCCCC(=O)NO)OC3=CC=C(C=C3)NC(=O)C4CCN(C4=O)C5=CC=C(C=C5)F
InChI
InChI=1S/C34H35FN4O7/c1-44-30-20-27-28(21-31(30)45-19-5-3-2-4-6-32(40)38-43)36-17-15-29(27)46-25-13-9-23(10-14-25)37-33(41)26-16-18-39(34(26)42)24-11-7-22(35)8-12-24/h7-15,17,20-21,26,43H,2-6,16,18-19H2,1H3,(H,37,41)(H,38,40)
InChIKey
BLMPKINHBQAHPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of c-Met/HDAC-IN-3
CAS: 2439175-23-0
CID: 164886625
Formula: C34H35FN4O7
MW: 630.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight630.7
XLogP34.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Exact Mass630.24897763
Monoisotopic Mass630.24897763
Topological Polar Surface Area139 Ų
Heavy Atom Count46
Formal Charge0
Complexity991
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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