Voxtalisib

Voxtalisib
Identifiers
	IUPAC name 2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;
CAS Number	934493-76-2;
PubChem CID	16123056;
DrugBank	DB12400;
ChemSpider	17279963;
UNII	CVL1685GPH;
ChEBI	CHEBI:124914;
ChEMBL	ChEMBL3545366;
Chemical and physical data
Formula	C13H14N6O
Molar mass	270.296 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CCN1C2=NC(=NC(=C2C=C(C1=O)C3=CC=NN3)C)N;
	InChI InChI=1S/C13H14N6O/c1-3-19-11-8(7(2)16-13(14)17-11)6-9(12(19)20)10-4-5-15-18-10/h4-6H,3H2,1-2H3,(H,15,18)(H2,14,16,17); Key:RGHYDLZMTYDBDT-UHFFFAOYSA-N;

Voxtalisib (XL-765, SAR245409) is a drug which acts as a dual inhibitor of the kinase enzymes phosphatidylinositol 3-kinase (PI3K) and mechanistic target of rapamycin (mTOR). It is in clinical trials for the treatment of various types of cancer.^[1]^[2]^[3]^[4]^[5]

References

^ Prasad G, Sottero T, Yang X, Mueller S, James CD, Weiss WA, et al. (April 2011). "Inhibition of PI3K/mTOR pathways in glioblastoma and implications for combination therapy with temozolomide". Neuro-Oncology. 13 (4): 384–92. doi:10.1093/neuonc/noq193. PMC 3064692. PMID 21317208.
^ Gravina GL, Mancini A, Scarsella L, Colapietro A, Jitariuc A, Vitale F, et al. (January 2016). "Dual PI3K/mTOR inhibitor, XL765 (SAR245409), shows superior effects to sole PI3K [XL147 (SAR245408)] or mTOR [rapamycin] inhibition in prostate cancer cell models". Tumour Biology. 37 (1): 341–51. doi:10.1007/s13277-015-3725-3. PMID 26219891. S2CID 23993969.
^ Brown JR, Hamadani M, Hayslip J, Janssens A, Wagner-Johnston N, Ottmann O, et al. (April 2018). "Voxtalisib (XL765) in patients with relapsed or refractory non-Hodgkin lymphoma or chronic lymphocytic leukaemia: an open-label, phase 2 trial". The Lancet. Haematology. 5 (4): e170–e180. doi:10.1016/S2352-3026(18)30030-9. PMC 7029813. PMID 29550382.
^ Rehan M (2019). "Anticancer compound XL765 as PI3K/mTOR dual inhibitor: A structural insight into the inhibitory mechanism using computational approaches". PLOS ONE. 14 (6): e0219180. Bibcode:2019PLoSO..1419180R. doi:10.1371/journal.pone.0219180. PMC 6597235. PMID 31247018.
^ Tarantelli C, Lupia A, Stathis A, Bertoni F (February 2020). "Is There a Role for Dual PI3K/mTOR Inhibitors for Patients Affected with Lymphoma?". International Journal of Molecular Sciences. 21 (3): 1060. doi:10.3390/ijms21031060. PMC 7037719. PMID 32033478.

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[1] Prasad G, Sottero T, Yang X, Mueller S, James CD, Weiss WA, et al. (April 2011). "Inhibition of PI3K/mTOR pathways in glioblastoma and implications for combination therapy with temozolomide". Neuro-Oncology. 13 (4): 384–92. doi:10.1093/neuonc/noq193. PMC 3064692. PMID 21317208.

[2] Gravina GL, Mancini A, Scarsella L, Colapietro A, Jitariuc A, Vitale F, et al. (January 2016). "Dual PI3K/mTOR inhibitor, XL765 (SAR245409), shows superior effects to sole PI3K [XL147 (SAR245408)] or mTOR [rapamycin] inhibition in prostate cancer cell models". Tumour Biology. 37 (1): 341–51. doi:10.1007/s13277-015-3725-3. PMID 26219891. S2CID 23993969.

[3] Brown JR, Hamadani M, Hayslip J, Janssens A, Wagner-Johnston N, Ottmann O, et al. (April 2018). "Voxtalisib (XL765) in patients with relapsed or refractory non-Hodgkin lymphoma or chronic lymphocytic leukaemia: an open-label, phase 2 trial". The Lancet. Haematology. 5 (4): e170–e180. doi:10.1016/S2352-3026(18)30030-9. PMC 7029813. PMID 29550382.

[4] Rehan M (2019). "Anticancer compound XL765 as PI3K/mTOR dual inhibitor: A structural insight into the inhibitory mechanism using computational approaches". PLOS ONE. 14 (6): e0219180. Bibcode:2019PLoSO..1419180R. doi:10.1371/journal.pone.0219180. PMC 6597235. PMID 31247018.

[5] Tarantelli C, Lupia A, Stathis A, Bertoni F (February 2020). "Is There a Role for Dual PI3K/mTOR Inhibitors for Patients Affected with Lymphoma?". International Journal of Molecular Sciences. 21 (3): 1060. doi:10.3390/ijms21031060. PMC 7037719. PMID 32033478.

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Identifiers

IUPAC name 2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one
CAS Number	934493-76-2
PubChem CID	16123056
DrugBank	DB12400
ChemSpider	17279963
UNII	CVL1685GPH
ChEBI	CHEBI:124914
ChEMBL	ChEMBL3545366
Chemical and physical data
Formula	C₁₃H₁₄N₆O
Molar mass	270.296 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CCN1C2=NC(=NC(=C2C=C(C1=O)C3=CC=NN3)C)N
InChI InChI=1S/C13H14N6O/c1-3-19-11-8(7(2)16-13(14)17-11)6-9(12(19)20)10-4-5-15-18-10/h4-6H,3H2,1-2H3,(H,15,18)(H2,14,16,17) Key:RGHYDLZMTYDBDT-UHFFFAOYSA-N