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利托那韦 | 155213-67-5

利托那韦
Ritonavir
155213-67-5
C37H48N6O5S2
720.9442
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:利托那韦结构式
329825441
利托那韦价格
简介
Ritonavir (ABT 538) 是用于研究 HIV 感染和 AIDS 的 HIV 蛋白酶的抑制剂。Ritonavir 也是 SARS-CoV 3CLpro 的抑制剂,IC50 为 1.61 μM。
名称和标识符
MDL MFCD00927142
InChIKey NCDNCNXCDXHOMX-XGKFQTDJSA-N
Inchi 1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1
SMILES S1C([H])=C(C([H])([H])N(C([H])([H])[H])C(N([H])[C@]([H])(C(N([H])[C@@]([H])(C([H])([H])C2C([H])=C([H])C([H])=C([H])C=2[H])C([H])([H])[C@@]([H])([C@]([H])(C([H])([H])C2C([H])=C([H])C([H])=C([H])C=2[H])N([H])C(=O)OC([H])([H])C2=C([H])N=C([H])S2)O[H])=O)C([H])(C([H])([H])[H])C([H])([H])[H])=O)N=C1C([H])(C([H])([H])[H])C([H])([H])[H]
别名信息
- 中文别名 -
  • 利托那韦
  • N-[(2S,3S,5R)-3-羟基-5-[[(2S)-3-甲基-2-[[甲基-[(2-异丙基-1,3-噻唑-4-基)甲基]氨基甲酰]氨基]丁酰]氨基]-1,6-二苯基-己-2-基]氨基甲酸 5-噻唑基甲基酯
  • 利托那韦 GMP
  • α-氰基-4-甲氧基肉桂酸
  • 利托那韦 EP标准品
  • 利托那韦 USP标准品
  • 利托那韦 标准品
  • 利托那韦 技术转让
  • 利托那韦-D6
  • 利托那韦峰鉴别 EP标准品
  • 利托那韦相关物质混合物 USP标准品
  • 雷托那韦
  • 瑞托纳韦
  • 瑞托那韦
  • 利托那韦(标准品)
  • 利托那韦相关物质混合物
  • 利托那韦 RITONAVIR
  • 利托那韦, HIV 蛋白酶抑制剂
  • 利托那韦(对照品)
- 英文别名 -
  • Ritonavir
  • 1,3-thiazol-5-ylmethyl n-[(2s,3s,5r)-3-hydroxy-5-[[(2s)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenyl-hexan-2-yl]carbamate
  • 1,3-THIAZOL-5-YLMETHANOL
  • 1,3-Thiazol-5-ylmethyl N-[(2s,3s,5r)-3-hydroxy-5-[[(2s)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-dipheny
  • A 84538
  • A-84538 ABT-538 Abbott 84538
  • Abbott 84538
  • ABT 538
  • ABT-538
  • Liponavir Core
  • Norvi
  • Norvir
  • NSC 693184
  • RITONA
  • Ritonavi
  • RTV
  • 1,3-Thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
  • A-84538
  • litonavir
  • Norvir Softgel
  • O3J8G9O825
  • Ritonavir, 98%
  • NSC693184
  • 5-Thiazolylmethyl ((alphaS)-alpha-((1S,3S-1-hydroxy-3-((2S)-2-(3-((2-isopropyl-4-thiazolyl)methyl)-3-methylureido)-3-methylbutyramido)-4-phenylbutyl)phenethyl)carbamate
  • DSSTox_RID_82825
  • DSSTox_CID_28553
  • DSSTox_GSID_48627
  • N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol
  • 1,3-Thiazol-5-ylmethyl N-[(2S,3S,5R)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenyl-hexan-2-yl]carbamate
  • RITONAVIR
  • HMS3715L22
  • VIEKIRAX COMPONENT RITONAVIR
  • 4eyr
  • RITONAVIR [WHO-IP]
  • HSDB 7160
  • RITONAVIR COMPONENT OF KALETRA
  • C37H48N6O5S2
  • BIDD:PXR0023
  • CHEBI:45409
  • Ritonavir- Bio-X
  • MRF-0000287
  • RITONAVIR (USP IMPURITY)
  • AKOS000280930
  • Tox21_112969_1
  • J-009178
  • (2S,3S,5S)-5-(N-(N-((N-MethyI-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1.6-diphenyl-3-hydroxyhexane
  • DB00503
  • NCGC00183130-01
  • J05AE03
  • RITONAVIR COMPONENT OF VIEKIRAX
  • (2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane
  • Viriton
  • thiazol-5-ylmethyl((2S,3S,5S)-3-hydroxy-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanamido)-1,6-diphenylhexan-2-yl)carbamate
  • 5-Thiazolylmethyl ((alphaS)-alpha-((1S,3S)-1-hydroxy-3-((2S)-2-(3-((2-isopropyl-4-thiazolyl)methyl)-3-methylureido)-3-methylbutyramido)-4-phenylbutyl)phenethyl)carbamate
  • DTXSID1048627
  • NC00257
  • (2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3hydroxyhexane
  • HY-90001
  • Norvir, Norvir Softgel
  • RITONAVIR [ORANGE BOOK]
  • CCG-101007
  • Ritonavir (JAN/USP/INN)
  • SMR000466395
  • AC-733
  • TMC 114r
  • EN300-119505
  • ritonavir
  • SW197637-2
  • Z1521553599
  • thiazol-5-ylmethyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamate
  • Ritonavirum
  • BDBM520
  • RITONAVIR [EMA EPAR]
  • RITONAVIR (USP MONOGRAPH)
  • Q422618
  • 1sh9
  • KALETRA COMPONENT RITONAVIR
  • RITONAVIR [INN]
  • (2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino )-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane
  • Ritomune
  • 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
  • 5-Thiazolylmethyl((alphaS)-alpha-((1S,3S)-1-hydroxy-3-((2S)-2-(3-((2-isopropyl-4-thiazolyl)methyl)-3-methylureido)-3-methylbutyramido)-4-phenylbutyl)phenethyl)carbamate
  • A904691
  • 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[(2S)-3-methyl-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}butanamido]-1,6-diphenylhexan-2-yl]carbamate
  • Ritonavir [USAN:USP:INN:BAN]
  • N-((2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-(((1,3-thiazol-5-ylmethoxy)carbonyl)amino)hexan-2-yl)-N(2)-(methyl((2-(propan-2-yl)-1,3-thiazol-4-yl)methyl)carbamoyl)-L-valinamide
  • (5S,8S,10S,11S)-10-Hydroxy-2-methyl-5-(1-methylethyl)-1-
  • PAXLOVID COMPONENT RITONAVIR
  • 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-di(phenyl)hexan-2-yl]carbamate
  • 2,4,7,12-TETRAAZATRIDECAN-13-OIC ACID, 10-HYDROXY-2-METHYL-5-(1-METHYLETHYL)-1-(2-(1-METHYLETHYL)-4-THIAZOLYL)-3,6-DIOXO-8,11-BIS(PHENYLMETHYL)-5-THIAZOLYLMETHYL ESTER (5S-(5R*,8R*,10R*,11R*))-
  • N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide
  • RITONAVIR (MART.)
  • R0116
  • AB00639991-06
  • ABBOTT-84538
  • thiazol-5-ylmethyl (2S,3S,5S)-3-hydroxy-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanamido)-1,6-diphenylhexan-2-ylcarbamate
  • 2,7,10,12-Tetraazatridecanoic acid, 4-hydroxy-12-methyl-9-(1-methylethyl)-13-[2-(1-methylethyl)-4-thiazolyl]-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S,4S,6S,9S)-
  • NCGC00159462-04
  • RITONAVIR [USP IMPURITY]
  • 5-Thiazolylmethyl (3S,4S,6S,9S)-4-hydroxy-12-methyl-9- (1-methylethyl)-13-[2- (1-methylethyl)-4-thiazolyl]-8,11-dioxo-3,6-bis (phenylmethyl)-2,7,10,12-tetraazatridecanoate
  • RITONAVIR COMPONENT OF PAXLOVID
  • DRG-0244
  • 2,7,10,12-TETRAAZATRIDECANOIC ACID, 4-HYDROXY-12-METHYL-9-(1-METHYLETHYL)-13-(2-(1-METHYLETHYL)-4-THIAZOLYL)-8,11-DIOXO-3,6-BIS(PHENYLMETHYL)-, 5-THIAZOLYLMETHYL ESTER, (3S,4S,6S,9S)-
  • MLS000759541
  • ABT538
  • Abbot 84538
  • AB00639991_09
  • RITONAVIR [HSDB]
  • Viekirax
  • RIT
  • BIDD:GT0387
  • SCHEMBL6679
  • Ritonavir & PLGA
  • Norvir (TN)
  • KS-5017
  • HMS2051B08
  • MLS001424063
  • RITONAVIR [MART.]
  • s1185
  • (2S,3S,5S)-5-(N-(N((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane
  • NCGC00159462-02
  • (2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1 .6-diphenyl-3-hydroxyhexane
  • 5-Thiazolylmethyl (3S,4S,6S,9S)-4-hydroxy-12-methyl-9-(1-methylethyl)-13-[2-(1-methylethyl)-4-thiazolyl]-8,11-dioxo-3,6-bis(phenylmethyl)-2,7,10,12-tetraazatridecanoate
  • (2S,3S,5S )-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl) methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl) methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane
  • NSC-760369
  • RITONAVIR [WHO-DD]
  • N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N(2)-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide
  • CHEMBL163
  • NCDNCNXCDXHOMX-XGKFQTDJSA-N
  • HMS2235O10
  • Ritonavir [USAN]
  • Pharmakon1600-01502391
  • Tox21_112969
  • C07240
  • RITONAVIR [VANDF]
  • CAS-155213-67-5
  • (2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1.6-diphenyl-3-hydroxyhexane
  • BR164353
  • 3tne
  • Tox21_113431
  • NCGC00159462-07
  • NSC-693184
  • (1,3-thiazol-5-yl)methyl N-[(2S,3S,5S)-3-hydroxy-5-[(2S)-3-methyl-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}butanamido]-1,6-diphenylhexan-2-yl]carbamate
  • CS-0432
  • Ritovir
  • Ritonavir 100 microg/mL in Acetonitrile
  • RITONAVIRUM [WHO-IP LATIN]
  • NCGC00159462-20
  • D00427
  • Norvir (TM)
  • MLS006011764
  • 2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-
  • DTXCID8028553
  • RITONAVIR [JAN]
  • (2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl) methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane
  • 2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-[2-(1-methylethyl)-4-thiazolyl]-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, [5S-(5R*,8R*,10R*,11R*)]-
  • UNII-O3J8G9O825
  • RITONAVIR [USP MONOGRAPH]
  • 155213-67-5
  • thiazol-5-ylmethyl ((2S,3S,5S)-3-hydroxy-5-((S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanamido)-1,6-diphenylhexan-2-yl)carbamate
  • RITONAVIR [USP-RS]
  • MFCD00927142
  • NCGC00159462-03
  • 1hxw
  • (2S, 3S, 5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)amino)carbonyl)valinvl)amino)-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane
  • 5-Thiazolylmethyl [(alphaS)-alpha-[(1S,3S)-1-hydroxy-3-[(2S)-2-[3-[(2-isopropyl-4-thiazolyl)methyl]-3-methylureido]-3-methylbutyramido]-4-phenylbutyl]phenethyl]carbamate
  • NSC 760369
  • HB6070
  • Empetus
  • BDBM50088504
  • GTPL8804
  • N1-((1S,3S,4S)-1-benzyl-3-hydroxy-5-phenyl-4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}pentyl)-N2-{[[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)amino]carbonyl}-L-valinamide
  • RITONAVIR [MI]
  • MLS000759541-02
  • Ritonavir, >=98% (HPLC)
  • 3prs
  • AB00639991_10
  • NSC760369
  • AB00639991-08
  • BRD-K51485625-001-07-6
物化性质
实验特性
LogP 7.07790
PSA 202.26000
Merck 14,8238
折射率 1.599
沸点 947°C at 760 mmHg
熔点 126-132°C
蒸气压 1.1X10-27 mm Hg @ 25 °C /Estimated/
闪点 2℃
溶解度 DMSO: soluble10mg/mL (clear solution, warmed)
浓度 1.0 mg/mL in acetonitrile
颜色与性状 Powder
溶解性 未确定
比旋光度 +7 ~ +10°(c=2, MeOH)
密度 1.239
计算特性
精确分子量 720.31300
氢键供体数量 4
氢键受体数量 9
可旋转化学键数量 18
同位素质量 720.31276100 g/mol
重原子数量 50
复杂度 1040
同位素原子数量 0
确定原子立构中心数量 4
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 6
互变异构体数量 16
表面电荷 0
拓扑分子极性表面积 202
分子量 720.9
国际标准相关数据
EINECS 7160
海关数据
海关编码 2942000000
海关数据

中国海关编码:

2942000000
生产方法和用途
用途 广泛用于HIV感染治疗。
生产方法 用途
相关文献
专业数据库参考
PubChemId 329825441
参考资料
Beilstein MFCD00927142
化合物详情(旧版)

利托那韦物理化学性质

熔点:120-122°C

利托那韦产品用途

用途一:用作抗病毒药
用途二:抗病毒药。拟肽的Hiv_1蛋白酶抑制剂,用于治疗艾滋病。

利托那韦制备方法

化合物(Ⅰ)溶于二氯甲烷,在-15℃和氮气保护下加入化合物(Ⅱ)和三乙胺的二氯甲烷溶液,搅拌2h,得到的混合液中含化合物(Ⅲ),直接用于下步反应。
往上述反应液中缓慢加入三乙胺,在-15~-13℃,将得到的混合液加到三光气的二氯甲烷溶液中,反应1.5h。缓慢加入化合物(Ⅳ)的二氯甲烷溶液,反应1h。加入水,分出有机层,用10%柠檬酸水溶液洗,浓缩。剩余物用硅胶提纯,得化合物(V),以化合物(I)计的收率为38%。
化合物(V)溶于乙酸,在钯催化下氢化。过滤,减压浓缩。剩余物溶于水,用****调至Ph=8。用二氯甲烷萃取,萃取液用水洗后,减压浓缩,得到化合物(Ⅵ),直接用于下步反应。
将化合物(Ⅶ)溶于乙酸乙酯,加入碳酸氢钠水溶液,反应后分层。将分出的有机层加到化合物(Ⅵ)的乙酸乙酯溶液,在60℃反应12h。浓缩,加入氨水,搅拌1h。分出有机层,分别用10%碳酸钾和氯化钠水溶液洗。减压浓缩,剩余物用硅胶提纯,得瑞托那韦,以化合物(V)计的收率为27%。

产品用途
用作抗病毒药
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