XL-388

XL-388
識別資訊
	IUPAC命名法 [7-(6-aminopyridin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-fluoro-2-methyl-4-methylsulfonylphenyl)methanone; ;
CAS號	1251156-08-7
PubChem CID	59604787;
CompTox Dashboard（英語：CompTox Chemicals Dashboard） (EPA)	DTXSID901336669 ;
化學資訊
化學式	C23H22FN3O4S
摩爾質量	455.50 g·mol−1
3D模型（JSmol（英語：JSmol））	交互式圖像;
	SMILES CC1=C(C=CC(=C1F)S(=O)(=O)C)C(=O)N2CCOC3=C(C2)C=C(C=C3)C4=CN=C(C=C4)N;
	InChI InChI=1S/C23H22FN3O4S/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); Key:LNFBAYSBVQBKFR-UHFFFAOYSA-N;

XL-388是一種藥物，可用作哺乳動物雷帕黴素靶蛋白（mTOR）mTORC1和mTORC2兩種亞型機制性靶標的潛在選擇性抑制劑。^[1]它目前處於各類癌症治療的研究中，^[2]^[3]^[4]並且mTOR抑制劑還被證明可用於神經性疼痛的治療。^[5]^[6]

參考文獻

^ Takeuchi CS, Kim BG, Blazey CM, Ma S, Johnson HW, Anand NK, Arcalas A, Baik TG, Buhr CA, Cannoy J, Epshteyn S, Joshi A, Lara K, Lee MS, Wang L, Leahy JW, Nuss JM, Aay N, Aoyama R, Foster P, Lee J, Lehoux I, Munagala N, Plonowski A, Rajan S, Woolfrey J, Yamaguchi K, Lamb P, Miller N. Discovery of a novel class of highly potent, selective, ATP-competitive, and orally bioavailable inhibitors of the mammalian target of rapamycin (mTOR). J Med Chem. 2013 Mar 28;56(6):2218-34. doi:10.1021/jm3007933 PMID 23394126
^ Zhu YR, Zhou XZ, Zhu LQ, Yao C, Fang JF, Zhou F, Deng XW, Zhang YQ. The anti-cancer activity of the mTORC1/2 dual inhibitor XL388 in preclinical osteosarcoma models. Oncotarget. 2016 Aug 2;7(31):49527-49538. doi:10.18632/oncotarget.10389 PMID 27385099
^ Xiong Z, Zang Y, Zhong S, Zou L, Wu Y, Liu S, Fang Z, Shen Z, Ding Q, Chen S. The preclinical assessment of XL388, a mTOR kinase inhibitor, as a promising anti-renal cell carcinoma agent. Oncotarget. 2017 May 2;8(18):30151-30161. doi:10.18632/oncotarget.15620 PMID 28404914
^ Zhong S, Xue J, Cao JJ, Sun B, Sun QF, Bian LG, Hu LY, Pan SJ. The therapeutic value of XL388 in human glioma cells. Aging (Albany NY). 2020 Nov 6;12(22):22550-22563. doi:10.18632/aging.103791 PMID 33159013
^ Choi S, Kim K, Cha M, Kim M, Lee BH. mTOR signaling intervention by Torin1 and XL388 in the insular cortex alleviates neuropathic pain. Neurosci Lett. 2020 Jan 23;718:134742. doi:10.1016/j.neulet.2020.134742 PMID 31917234
^ Cha M, Choi S, Kim K, Lee BH. Manganese-enhanced MRI depicts a reduction in brain responses to nociception upon mTOR inhibition in chronic pain rats. Mol Brain. 2020 Nov 23;13(1):158. doi:10.1186/s13041-020-00687-1 PMID 33267907

這是一篇與藥學相關的小作品。您可以透過編輯或修訂擴充其內容。

[1] Takeuchi CS, Kim BG, Blazey CM, Ma S, Johnson HW, Anand NK, Arcalas A, Baik TG, Buhr CA, Cannoy J, Epshteyn S, Joshi A, Lara K, Lee MS, Wang L, Leahy JW, Nuss JM, Aay N, Aoyama R, Foster P, Lee J, Lehoux I, Munagala N, Plonowski A, Rajan S, Woolfrey J, Yamaguchi K, Lamb P, Miller N. Discovery of a novel class of highly potent, selective, ATP-competitive, and orally bioavailable inhibitors of the mammalian target of rapamycin (mTOR). J Med Chem. 2013 Mar 28;56(6):2218-34. doi:10.1021/jm3007933 PMID 23394126

[2] Zhu YR, Zhou XZ, Zhu LQ, Yao C, Fang JF, Zhou F, Deng XW, Zhang YQ. The anti-cancer activity of the mTORC1/2 dual inhibitor XL388 in preclinical osteosarcoma models. Oncotarget. 2016 Aug 2;7(31):49527-49538. doi:10.18632/oncotarget.10389 PMID 27385099

[3] Xiong Z, Zang Y, Zhong S, Zou L, Wu Y, Liu S, Fang Z, Shen Z, Ding Q, Chen S. The preclinical assessment of XL388, a mTOR kinase inhibitor, as a promising anti-renal cell carcinoma agent. Oncotarget. 2017 May 2;8(18):30151-30161. doi:10.18632/oncotarget.15620 PMID 28404914

[4] Zhong S, Xue J, Cao JJ, Sun B, Sun QF, Bian LG, Hu LY, Pan SJ. The therapeutic value of XL388 in human glioma cells. Aging (Albany NY). 2020 Nov 6;12(22):22550-22563. doi:10.18632/aging.103791 PMID 33159013

[5] Choi S, Kim K, Cha M, Kim M, Lee BH. mTOR signaling intervention by Torin1 and XL388 in the insular cortex alleviates neuropathic pain. Neurosci Lett. 2020 Jan 23;718:134742. doi:10.1016/j.neulet.2020.134742 PMID 31917234

[6] Cha M, Choi S, Kim K, Lee BH. Manganese-enhanced MRI depicts a reduction in brain responses to nociception upon mTOR inhibition in chronic pain rats. Mol Brain. 2020 Nov 23;13(1):158. doi:10.1186/s13041-020-00687-1 PMID 33267907

[1]

[2]

[3]

[4]

[5]

[6]

識別資訊

IUPAC命名法 [7-(6-aminopyridin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-fluoro-2-methyl-4-methylsulfonylphenyl)methanone
CAS號	1251156-08-7
PubChem CID	59604787
CompTox Dashboard（英語：CompTox Chemicals Dashboard） (EPA)	DTXSID901336669
化學資訊
化學式	C₂₃H₂₂FN₃O₄S
摩爾質量	455.50 g·mol⁻¹
3D模型（JSmol（英語：JSmol））	交互式圖像
SMILES CC1=C(C=CC(=C1F)S(=O)(=O)C)C(=O)N2CCOC3=C(C2)C=C(C=C3)C4=CN=C(C=C4)N
InChI InChI=1S/C23H22FN3O4S/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) Key:LNFBAYSBVQBKFR-UHFFFAOYSA-N