TMC-310911

TMC-310911
法律规范状态
法律规范	美：Investigational drug;
识别信息
	IUPAC命名法 [(3As,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[[2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate; ;
CAS号	1000287-05-7
PubChem CID	53361968;
DrugBank	DB15623;
ChemSpider	34554561;
UNII	0151W500HP;
化学信息
化学式	C38H53N5O7S2
摩尔质量	755.99
3D模型（JSmol（英语：JSmol））	交互式图像;
	SMILES CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)N=C(S5)NC6CCN(CC6)C7CCCC7;
	InChI InChI=1S/C38H53N5O7S2/c1-25(2)22-43(23-33(44)32(20-26-8-4-3-5-9-26)41-38(45)50-34-24-49-36-30(34)16-19-48-36)52(46,47)29-12-13-31-35(21-29)51-37(40-31)39-27-14-17-42(18-15-27)28-10-6-7-11-28/h3-5,8-9,12-13,21,25,27-28,30,32-34,36,44H,6-7,10-11,14-20,22-24H2,1-2H3,(H,39,40)(H,41,45)/t30-,32-,33+,34-,36+/m0/s1; Key:JQUNFHFWXCXPRK-AMMMHQJVSA-N;

TMC-310911（也称ASC-09）是一种最初被研究用于治疗HIV/AIDS的抗病毒药物。它是一种蛋白酶抑制剂，与达芦那韦有关。^[1]^[2]尽管TMC-310911在开发后，其最终用途不是用于治疗艾滋病，但对于其它病毒性疾病的治疗研究仍在进行。它在2020年3月进入了COVID-19治疗的临床试验阶段。^[3]^[4]

参见

Brecanavir

参考文献

^ Dierynck I, Van Marck H, Van Ginderen M, Jonckers TH, Nalam MN, Schiffer CA, Raoof A, Kraus G, Picchio G. TMC310911, a novel human immunodeficiency virus type 1 protease inhibitor, shows in vitro an improved resistance profile and higher genetic barrier to resistance compared with current protease inhibitors. Antimicrobial Agents and Chemotherapy. December 2011, 55 (12): 5723–31. PMC 3232804  . PMID 21896904. doi:10.1128/AAC.00748-11.
^ Ghosh AK, Brindisi M. Organic carbamates in drug design and medicinal chemistry. Journal of Medicinal Chemistry. April 2015, 58 (7): 2895–940. PMC 4393377  . PMID 25565044. doi:10.1021/jm501371s.
^ Catapang JK, Billones JB. On the Generation of Novel Ligands for SARS-CoV-2 Protease and ACE2 Receptor via Constrained Graph Variational Autoencoders. ChemRxiv. March 2020. doi:10.26434/chemrxiv.12011157.v3.
^ McGrath J. All the COVID-19 vaccines and treatments currently in clinical trials. Digital Trends. 2 April 2020 [6 April 2020]. （原始内容存档于2020-04-14）.

[pmid21896904-1] Dierynck I, Van Marck H, Van Ginderen M, Jonckers TH, Nalam MN, Schiffer CA, Raoof A, Kraus G, Picchio G. TMC310911, a novel human immunodeficiency virus type 1 protease inhibitor, shows in vitro an improved resistance profile and higher genetic barrier to resistance compared with current protease inhibitors. Antimicrobial Agents and Chemotherapy. December 2011, 55 (12): 5723–31. PMC 3232804  . PMID 21896904. doi:10.1128/AAC.00748-11.

[pmid25565044-2] Ghosh AK, Brindisi M. Organic carbamates in drug design and medicinal chemistry. Journal of Medicinal Chemistry. April 2015, 58 (7): 2895–940. PMC 4393377  . PMID 25565044. doi:10.1021/jm501371s.

[3] Catapang JK, Billones JB. On the Generation of Novel Ligands for SARS-CoV-2 Protease and ACE2 Receptor via Constrained Graph Variational Autoencoders. ChemRxiv. March 2020. doi:10.26434/chemrxiv.12011157.v3.

[4] McGrath J. All the COVID-19 vaccines and treatments currently in clinical trials. Digital Trends. 2 April 2020 [6 April 2020]. （原始内容存档于2020-04-14）.

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法律规范状态

法律规范	美：Investigational drug
识别信息
IUPAC命名法 [(3As,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[[2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
CAS号	1000287-05-7 ^Y
PubChem CID	53361968
DrugBank	DB15623
ChemSpider	34554561
UNII	0151W500HP
化学信息
化学式	C₃₈H₅₃N₅O₇S₂
摩尔质量	755.99
3D模型（JSmol（英语：JSmol））	交互式图像
SMILES CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)N=C(S5)NC6CCN(CC6)C7CCCC7
InChI InChI=1S/C38H53N5O7S2/c1-25(2)22-43(23-33(44)32(20-26-8-4-3-5-9-26)41-38(45)50-34-24-49-36-30(34)16-19-48-36)52(46,47)29-12-13-31-35(21-29)51-37(40-31)39-27-14-17-42(18-15-27)28-10-6-7-11-28/h3-5,8-9,12-13,21,25,27-28,30,32-34,36,44H,6-7,10-11,14-20,22-24H2,1-2H3,(H,39,40)(H,41,45)/t30-,32-,33+,34-,36+/m0/s1 Key:JQUNFHFWXCXPRK-AMMMHQJVSA-N