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UNC0737

CAT: 0804-HY-170805-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-170805-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
UNC0737 is an orthosteric choline kinase inhibitor. UNC0737 is also a poor inhibitor of G9a (IC50 = 5000 nM) and GLP (IC50 > 10000 nM) in the SAHH-coupled assays[1].
CAS Number
1327276-39-0
UNSPSC
12352005
Target
Choline Kinase
Related Pathways
Neuronal Signaling
Field of Research
Cancer
Smiles
CN(C1CCN(C(C)C)CC1)C2=NC(C3CCCCC3)=NC4=C2C=C(OC)C(OCCCN5CCCC5)=C4
Molecular Formula
C31H49N5O2
Molecular Weight
523.75
References & Citations
[1]Bauer L G, et al. Phänomik-basierte Entdeckung neuer orthosterischer Cholinkinase Inhibitoren[J]. Angew. Chem. Int. Ed, 2025: e202420149.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-Cyclohexyl-N-(1-isopropylpiperidin-4-yl)-6-methoxy-N-methyl-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-amine
CAS Number1327276-39-0
PubChem CID52953431
IUPAC Name2-cyclohexyl-6-methoxy-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
Molecular FormulaC31H49N5O2
Molecular Weight523.8
XLogP6.4
Topological Polar Surface Area54
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count38
Formal Charge0
Complexity690
SMILES
CC(C)N1CCC(CC1)N(C)C2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5
InChI
InChI=1S/C31H49N5O2/c1-23(2)36-18-13-25(14-19-36)34(3)31-26-21-28(37-4)29(38-20-10-17-35-15-8-9-16-35)22-27(26)32-30(33-31)24-11-6-5-7-12-24/h21-25H,5-20H2,1-4H3
InChIKey
ATORKVYCKKBNTF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Cyclohexyl-N-(1-isopropylpiperidin-4-yl)-6-methoxy-N-methyl-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-amine
CAS: 1327276-39-0
CID: 52953431
Formula: C31H49N5O2
MW: 523.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.8
XLogP36.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass523.38862582
Monoisotopic Mass523.38862582
Topological Polar Surface Area54 Ų
Heavy Atom Count38
Formal Charge0
Complexity690
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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