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DC_AC50

CAT: 0804-HY-107636-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-107636-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DC_AC50 is a dual inhibitor of Atox1 and CCS (copper chaperones) . Inhibiting intracellular copper chaperones as a means of reducing/preventing acquired chemotherapy resistance[1].
CAS Number
497061-48-0
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Apoptosis
Type
Reference compound
Related Pathways
Apoptosis
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/dc-ac50.html
Purity
99.98
Solubility
DMSO : 50 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
NC1=C(SC2=C1C=C3CCCC3=N2)C(NC4=C(Br)C=C(C=C4F)F)=O
Molecular Formula
C17H12BrF2N3OS
Molecular Weight
424.26
Precautions
H315, H319, H335
References & Citations
[1]Jordon M Inkol, et al. Inhibition of copper chaperones sensitizes human and canine osteosarcoma cells to carboplatin chemotherapy. Vet Comp Oncol. 2020 Dec;18 (4) :559-569.|[2]Jing Wang, et al. Inhibition of human copper trafficking by a small molecule significantly attenuates cancer cell proliferation. Nat Chem. 2015 Dec;7 (12) :968-79.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

DC_AC50
CAS Number497061-48-0
PubChem CID1025330
IUPAC Name6-amino-N-(2-bromo-4,6-difluorophenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
Molecular FormulaC17H12BrF2N3OS
Molecular Weight424.3
XLogP4.8
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity530
SMILES
C1CC2=CC3=C(N=C2C1)SC(=C3N)C(=O)NC4=C(C=C(C=C4Br)F)F
InChI
InChI=1S/C17H12BrF2N3OS/c18-10-5-8(19)6-11(20)14(10)23-16(24)15-13(21)9-4-7-2-1-3-12(7)22-17(9)25-15/h4-6H,1-3,21H2,(H,23,24)
InChIKey
DFNOJNBNTVQPCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DC_AC50
CAS: 497061-48-0
CID: 1025330
Formula: C17H12BrF2N3OS
MW: 424.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.3
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass422.98525
Monoisotopic Mass422.98525
Topological Polar Surface Area96.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity530
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

Alternative Products

CatalogName
MBS3841350-01DC_AC50
A16043-100DC_AC50 100mg
A16043-2DC_AC50 2mg
A16043-25DC_AC50 25mg
A16043-50DC_AC50 50mg
A16043-10DC_AC50 10mg
A16043-5DC_AC50 5mg
A16043-10mM-DDC_AC50 10mM * 1mL in DMSO

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