XL-388

XL-388
识别信息
	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号	1251156-08-7
PubChem CID	59604787;
CompTox Dashboard（英语：CompTox Chemicals Dashboard） (EPA)	DTXSID901336669 ;
化学信息
化学式	C23H22FN3O4S
摩尔质量	455.50 g·mol−1
3D模型（JSmol（英语：JSmol））	交互式图像;
	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是一种药物，可用作哺乳动物雷帕霉素靶蛋白（mTOR）mTORC1和mTORC2两种亚型机制性靶标的潜在选择性抑制剂。^[1]它目前处于各类癌症治疗的研究中，^[2]^[3]^[4]并且mTOR抑制剂还被证明可用于神经性疼痛的治疗。^[5]^[6]

参考文献

^ 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

这是一篇與药学相關的小作品。您可以通过编辑或修订扩充其内容。

[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]

识别信息

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号	1251156-08-7
PubChem CID	59604787
CompTox Dashboard（英语：CompTox Chemicals Dashboard） (EPA)	DTXSID901336669
化学信息
化学式	C₂₃H₂₂FN₃O₄S
摩尔质量	455.50 g·mol⁻¹
3D模型（JSmol（英语：JSmol））	交互式图像
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