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Panulisib

CAT: 0804-HY-16769Size: 1 EachDry Ice: NoHazardous: No
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Description
Panulisib (P7170; AK151761) is an orally active inhibitor of PI3K (IC50 = 2.2 nM) and mTOR (IC50 = 4.4 nM) . Panulisib inhibits ALK1 and DNA-PK, two enzymes that respectively participate in angiogenesis and DNA repair, with IC50 values of 47 nM and 1.5 nM respectively. Panulisib inhibits cell proliferation and apoptosis. Panulisib can be used for research on breast cancer and non-small cell lung cancer[1][2][3].
CAS Number
1356033-60-7
Product Name Alternative
P7170; AK151761
UNSPSC
12352005
Target
Anaplastic lymphoma kinase (ALK) ; Apoptosis; DNA-PK; mTOR; PI3K
Related Pathways
Apoptosis; Cell Cycle/DNA Damage; PI3K/Akt/mTOR; Protein Tyrosine Kinase/RTK
Field of Research
Cancer
Smiles
N#C/N=C(N1C2=CC=C(C(C)(C#N)C)N=C2)\N(C)C3=C1C4=CC(C5=CC(C(F)(F)F)=C(N)N=C5)=CC=C4N=C3
Molecular Formula
C27H20F3N9
Molecular Weight
527.50
References & Citations
[1]Jalota-Badhwar A, et al. P7170: A Novel Molecule with Unique Profile of mTORC1/C2 and Activin Receptor-like Kinase 1 Inhibition Leading to Antitumor and Antiangiogenic Activity. Mol Cancer Ther. 2015 May;14 (5) :1095-106.|[2]Bean JR, et al. The PI3K/mTOR dual inhibitor P7170 demonstrates potent activity against endocrine-sensitive and endocrine-resistant ER+ breast cancer. Breast Cancer Res Treat. 2015 Jan;149 (1) :69-79. |[3]Venkatesha VA, et al. P7170, a novel inhibitor of mTORC1/mTORC2 and Activin receptor-like Kinase 1 (ALK1) inhibits the growth of non small cell lung cancer. Mol Cancer. 2014 Dec 2;13:259.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Panulisib

Panulisib is an orally bioavailable inhibitor of phosphoinositide 3-kinase (PI3K), mammalian target of rapamycin (mTOR), activin receptor-like kinase 1 (ALK-1) and DNA-dependent protein kinase (DNA-PK), with potential anti-angiogenic and antineoplastic activities. Upon oral administration, panulisib inhibits the activity of all four kinases. This prevents PI3K/mTOR and ALK-1-mediated signaling pathways and may lead to the inhibition of cancer cell growth in PI3K/mTOR-overexpressing tumor cells and angiogenesis in ALK-1-overexpressing endothelial cells. Also, by inhibiting DNA-PK, this agent inhibits the ability of tumor cells to repair damaged DNA. The PI3K/mTOR pathway is upregulated in a variety of tumors and plays an important role in regulating cancer cell proliferation, growth, and survival. ALK-1, a member of the transforming growth factor beta (TGF-b) type I receptor family, is overexpressed on endothelial cells in a variety of tumor types and increases endothelial cell proliferation and migration. DNA-PK is activated upon DNA damage and plays a key role in repairing double-stranded DNA breaks.

CAS Number1356033-60-7
PubChem CID56947515
IUPAC Name[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[6-(2-cyanopropan-2-yl)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide
Molecular FormulaC27H20F3N9
Molecular Weight527.5
XLogP3.7
Topological Polar Surface Area131
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count39
Formal Charge0
Complexity1040
SMILES
CC(C)(C#N)C1=NC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=NC#N)C)C5=CC(=C(N=C5)N)C(F)(F)F
InChI
InChI=1S/C27H20F3N9/c1-26(2,13-31)22-7-5-17(11-35-22)39-23-18-8-15(16-9-19(27(28,29)30)24(33)36-10-16)4-6-20(18)34-12-21(23)38(3)25(39)37-14-32/h4-12H,1-3H3,(H2,33,36)
InChIKey
VJLRLTSXTLICIR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Panulisib
CAS: 1356033-60-7
CID: 56947515
Formula: C27H20F3N9
MW: 527.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight527.5
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass527.17937616
Monoisotopic Mass527.17937616
Topological Polar Surface Area131 Ų
Heavy Atom Count39
Formal Charge0
Complexity1040
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