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DBPR728

CAT: 0804-HY-162470-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-162470-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DBPR728 is an acyl prodrug of 6K465 that carries fewer hydrogen bond donors. 6K465 acts as an Aurora kinase inhibitor that destabilizes MYC family cancer proteins and has antitumor efficacy. DBPR728 has the potential to inhibit cancers that overexpress C-MYC and N-MYC, with a 10-fold increase in oral bioavailability compared to 6K465[1].
CAS Number
2702965-64-6
UNSPSC
12352005
Target
Aurora Kinase
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Epigenetics
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/dbpr728.html
Purity
98.11
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(N1CCC(NC2=NC(N3CCN(CC)CC3)=CC(NC4=CC(C)=NN4C(CC)=O)=N2)CC1)C5=CC=CC(Cl)=C5F
Molecular Formula
C29H37ClFN9O2
Molecular Weight
598.11
References & Citations
[1]Chang C P, et al. Discovery of a long half-life AURKA inhibitor to treat MYC-amplified solid tumors as a monotherapy and in combination with everolimus[J]. Molecular Cancer Therapeutics, 2024: OF1-OF14.
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

1-[5-[[2-[[1-(3-Chloro-2-fluorobenzoyl)piperidin-4-yl]amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]-3-methylpyrazol-1-yl]propan-1-one
CAS Number2702965-64-6
PubChem CID168122899
IUPAC Name1-[5-[[2-[[1-(3-chloro-2-fluorobenzoyl)piperidin-4-yl]amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]-3-methylpyrazol-1-yl]propan-1-one
Molecular FormulaC29H37ClFN9O2
Molecular Weight598.1
XLogP5.4
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count42
Formal Charge0
Complexity904
SMILES
CCC(=O)N1C(=CC(=N1)C)NC2=CC(=NC(=N2)NC3CCN(CC3)C(=O)C4=C(C(=CC=C4)Cl)F)N5CCN(CC5)CC
InChI
InChI=1S/C29H37ClFN9O2/c1-4-26(41)40-25(17-19(3)36-40)33-23-18-24(38-15-13-37(5-2)14-16-38)35-29(34-23)32-20-9-11-39(12-10-20)28(42)21-7-6-8-22(30)27(21)31/h6-8,17-18,20H,4-5,9-16H2,1-3H3,(H2,32,33,34,35)
InChIKey
ZDLRMSAQXDMQSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[5-[[2-[[1-(3-Chloro-2-fluorobenzoyl)piperidin-4-yl]amino]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]-3-methylpyrazol-1-yl]propan-1-one
CAS: 2702965-64-6
CID: 168122899
Formula: C29H37ClFN9O2
MW: 598.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight598.1
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass597.2742773
Monoisotopic Mass597.2742773
Topological Polar Surface Area112 Ų
Heavy Atom Count42
Formal Charge0
Complexity904
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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