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Panulisib

CAT: 0926-GEC03360-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-GEC03360-02Size:1 g
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CAS Number
1356033-60-7
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
Molecular Formula
C27H20F3N9
Molecular Weight
527.5 g/mol
Controlled
No

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
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View on PubChemRaw 3D data
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

Alternative Products

CatalogName
HY-16769Panulisib
A14379-5Panulisib 5mg
A14379-10Panulisib 10mg
MBS3840331Panulisib (P7170, AK151761)

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