DLC-50

CAT: 0931-T88516-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T88516-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2928537-98-6

Target

HDAC, Apoptosis, PARP

Related Pathways

Chromatin/Epigenetic, Apoptosis, DNA Damage/DNA Repair

Bioactivity

DLC-50 is a dual inhibitor of PARP-1 and HDAC-1, exhibiting IC50 values of 1.2 nM and 31 nM respectively. It hinders the proliferation of cancer cells such as MDA-MB-436, MDA-MB-231, and MCF-7 with IC50 values of 0.3 μM, 2.7 μM, and 2.41 μM respectively. Additionally, DLC-50 induces apoptosis in MDA-MB-231 cells and causes cell cycle arrest at the G2 phase.

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

[7-(hydroxyamino)-7-oxoheptyl] 4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazine-1-carbodithioate

CAS Number	2928537-98-6
PubChem CID	172419453
IUPAC Name	[7-(hydroxyamino)-7-oxoheptyl] 4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazine-1-carbodithioate
Molecular Formula	C28H32FN5O4S2
Molecular Weight	585.7
XLogP	3.4
Topological Polar Surface Area	172
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	11
Heavy Atom Count	40
Formal Charge	0
Complexity	946

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

CAS: 2928537-98-6

CID: 172419453

Formula: C28H32FN5O4S2

MW: 585.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	585.7
XLogP3	3.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	11
Exact Mass	585.18797503
Monoisotopic Mass	585.18797503
Topological Polar Surface Area	172 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	946
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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GTR19236529-01	DLC-50
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DLC-50

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