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DLC-50

CAT: 0013-GTR19236529-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236529-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DLC-50 is a potent dual PARP-1/HDAC-1 inhibitor with low nanomolar IC50 values. It demonstrates anti-proliferative activity against breast cancer cell lines, induces apoptosis, and causes G2/M cell cycle arrest, supporting its investigation in oncology research for targeted cancer therapy.
CAS Number
2928537-98-6
Field of Research
Cell Biology, Epigenetics & Chromatin, Molecular Biology
Smiles
O=C1NN=C (C=2C=CC=CC12) CC3=CC=C (F) C (=C3) C (=O) N4CCN (C (=S) SCCCCCCC (=O) NO) CC4
Molecular Formula
C28H32FN5O4S2
Molecular Weight
585.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[7-(hydroxyamino)-7-oxoheptyl] 4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazine-1-carbodithioate
CAS Number2928537-98-6
PubChem CID172419453
IUPAC Name[7-(hydroxyamino)-7-oxoheptyl] 4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazine-1-carbodithioate
Molecular FormulaC28H32FN5O4S2
Molecular Weight585.7
XLogP3.4
Topological Polar Surface Area172
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count40
Formal Charge0
Complexity946
SMILES
C1CN(CCN1C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F)C(=S)SCCCCCCC(=O)NO
InChI
InChI=1S/C28H32FN5O4S2/c29-23-11-10-19(18-24-20-7-4-5-8-21(20)26(36)31-30-24)17-22(23)27(37)33-12-14-34(15-13-33)28(39)40-16-6-2-1-3-9-25(35)32-38/h4-5,7-8,10-11,17,38H,1-3,6,9,12-16,18H2,(H,31,36)(H,32,35)
InChIKey
FMYVFKMFHPNWOA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [7-(hydroxyamino)-7-oxoheptyl] 4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazine-1-carbodithioate
CAS: 2928537-98-6
CID: 172419453
Formula: C28H32FN5O4S2
MW: 585.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight585.7
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass585.18797503
Monoisotopic Mass585.18797503
Topological Polar Surface Area172 Ų
Heavy Atom Count40
Formal Charge0
Complexity946
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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