Details
Stereochemistry | ACHIRAL |
Molecular Formula | C23H22FN3O4S.ClH |
Molecular Weight | 491.963 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CC1=C(C=CC(=C1F)S(C)(=O)=O)C(=O)N2CCOC3=C(C2)C=C(C=C3)C4=CC=C(N)N=C4
InChI
InChIKey=XUGXNTJUYGTLLW-UHFFFAOYSA-N
InChI=1S/C23H22FN3O4S.ClH/c1-14-18(5-7-20(22(14)24)32(2,29)30)23(28)27-9-10-31-19-6-3-15(11-17(19)13-27)16-4-8-21(25)26-12-16;/h3-8,11-12H,9-10,13H2,1-2H3,(H2,25,26);1H
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C23H22FN3O4S |
Molecular Weight | 455.502 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
DescriptionSources: http://adisinsight.springer.com/drugs/800019856Curator's Comment: Description was created based on several sources, including
http://mct.aacrjournals.org/content/8/12_Supplement/B146 | https://www.ncbi.nlm.nih.gov/pubmed/23394126
Sources: http://adisinsight.springer.com/drugs/800019856
Curator's Comment: Description was created based on several sources, including
http://mct.aacrjournals.org/content/8/12_Supplement/B146 | https://www.ncbi.nlm.nih.gov/pubmed/23394126
XL388 is a selective small-molecule ATP-competitive inhibitor of mTOR kinase complexes mTORC1 and mTORC2. XL388 inhibited cellular phosphorylation of mTOR complex 1 (p-p70S6K, pS6, and p-4E-BP1) and mTOR complex 2 (pAKT (S473)) substrates. In vitro, XL388 inhibits the viability of solid and hematopoietic tumor cell lines when assayed as a single agent. XL388 also synergizes with chemotherapeutics in cell‐based assays to block cell viability. When dosed orally once daily in mice, XL388 shows robust anti‐tumor activity in multiple xenograft models. Exelixis has discontinued the development of XL388. The company intends to pursue a collaboration partner or other external opportunities for the development of XL388.
Originator
Sources: http://adisinsight.springer.com/drugs/800019856
Curator's Comment: # Exelixis
Approval Year
PubMed
Title | Date | PubMed |
---|---|---|
Discovery of a novel class of highly potent, selective, ATP-competitive, and orally bioavailable inhibitors of the mammalian target of rapamycin (mTOR). | 2013 Mar 28 |
|
MicroRNA-21 Regulates the Proliferation, Differentiation, and Apoptosis of Human Renal Cell Carcinoma Cells by the mTOR-STAT3 Signaling Pathway. | 2016 |
|
The anti-cancer activity of the mTORC1/2 dual inhibitor XL388 in preclinical osteosarcoma models. | 2016 Aug 2 |
Patents
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/27385099
oral administration of XL388 (20 mg/kg body weight, every three days, × 7 times) significantly inhibited U2OS xenograft growth in severe combined immuno-deficient mice.
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/27385099
XL388 (100 nM) inhibited survival in human osteosarcoma cells
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:17:40 GMT 2023
by
admin
on
Sat Dec 16 09:17:40 GMT 2023
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Record UNII |
I36BZ5F3D1
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Record Status |
Validated (UNII)
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