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PI4KA-IN-1

CAT: 0804-HY-148956Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-148956Size:1 Each
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Description
PI4KA-IN-1 (Compound G1) is a PI4KA inhibitor. PI4KA-IN-1 can be used in the research of hepatitis C virus infection[1].
CAS Number
1579232-30-6
UNSPSC
12352005
Target
PI4K
Related Pathways
PI3K/Akt/mTOR
Field of Research
Infection
Smiles
O=S(NC1=C(OC)N=CC(C2=CC=C3N=C(NCCS(=O)(C)=O)N=C(N4CCC(CC4)N(C)C)C3=C2)=C1)(C5=CC=C(C=C5F)F)=O
Molecular Formula
C30H35F2N7O5S2
Molecular Weight
675.77
References & Citations
[1]Bojjireddy N, et al. Pharmacological and genetic targeting of the PI4KA enzyme reveals its important role in maintaining plasma membrane phosphatidylinositol 4-phosphate and phosphatidylinositol 4,5-bisphosphate levels. J Biol Chem. 2014 Feb 28;289 (9) :6120-32.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

PI4KA inhibitor-1
CAS Number1579232-30-6
PubChem CID139311737
IUPAC NameN-[5-[4-[4-(dimethylamino)piperidin-1-yl]-2-(2-methylsulfonylethylamino)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
Molecular FormulaC30H35F2N7O5S2
Molecular Weight675.8
XLogP4.4
Topological Polar Surface Area163
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count11
Heavy Atom Count46
Formal Charge0
Complexity1200
SMILES
CN(C)C1CCN(CC1)C2=NC(=NC3=C2C=C(C=C3)C4=CC(=C(N=C4)OC)NS(=O)(=O)C5=C(C=C(C=C5)F)F)NCCS(=O)(=O)C
InChI
InChI=1S/C30H35F2N7O5S2/c1-38(2)22-9-12-39(13-10-22)28-23-15-19(5-7-25(23)35-30(36-28)33-11-14-45(4,40)41)20-16-26(29(44-3)34-18-20)37-46(42,43)27-8-6-21(31)17-24(27)32/h5-8,15-18,22,37H,9-14H2,1-4H3,(H,33,35,36)
InChIKey
KENGVUQGBSMOMI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PI4KA inhibitor-1
CAS: 1579232-30-6
CID: 139311737
Formula: C30H35F2N7O5S2
MW: 675.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight675.8
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count11
Exact Mass675.21091591
Monoisotopic Mass675.21091591
Topological Polar Surface Area163 Ų
Heavy Atom Count46
Formal Charge0
Complexity1200
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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