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(3AR,4R,6AS)-4-[[[(叔丁酯)二甲基硅烷基]氧基]甲基]四氢-2,2-二甲基-4H-1,3-二氧杂环戊烯并[4,5-C]吡咯 | 153172-31-7

分子结构分类

有机化合物 - 有机氧化合物

中文名称

(3AR,4R,6AS)-4-[[[(叔丁酯)二甲基硅烷基]氧基]甲基]四氢-2,2-二甲基-4H-1,3-二氧杂环戊烯并[4,5-C]吡咯

中文别名

——

英文名称

5-O-tert-butyldimethylsilyl-1,4-dideoxy-1,4-imino-2,3-O-isopropylidene-D-ribitol

英文别名

5-O-tert-butyldimethylsilyl-1,4-imino-2,3-O-isopropylidene-D-ribitol；(3aR,4R,6aS)-4-{[(tert-butyldimethylsilyl)oxy]methyl}-2,2-dimethyl-hexahydro-[1,3]dioxolo[4,5-c]pyrrole；[(3aR,4R,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane

(3AR,4R,6AS)-4-[[[(叔丁酯)二甲基硅烷基]氧基]甲基]四氢-2,2-二甲基-4H-1,3-二氧杂环戊烯并[4,5-C]吡咯化学式

CAS

153172-31-7

化学式

C₁₄H₂₉NO₃Si

mdl

——

分子量

287.475

InChiKey

OJQCXEITXMMYOK-GRYCIOLGSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

2.5
重原子数：

19
可旋转键数：

4
环数：

2.0
sp3杂化的碳原子比例：

1.0
拓扑面积：

39.7
氢给体数：

1
氢受体数：

4

安全信息

储存条件：

室温、密封、干燥

SDS

SDS：2a90fb58e926562e13b74d245fe4d7bc

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上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	((3aR,4R,6aS)-2,2-Dimethyltetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl)methanol	117859-48-0	C₈H₁₅NO₃	173.212
(3AR,4R,6AS)-5-苄基-4-(((叔丁基二甲基硅烷基)氧基)甲基)-2,2-二甲基四	5-O-tert-butyldimethylsilyl-1,4-N-benzylimino-2,3-O-isopropylidene-D-ribitol	153172-30-6	C₂₁H₃₅NO₃Si	377.599
——	N-benzyl-1,4-dideoxy-1,4-imino-2,3-O-isopropylidene-D-ribitol	117858-84-1	C₁₅H₂₁NO₃	263.337
——	5-O-t-butyldimethylsilyl-2,3-di-O-isopropylidene-L-lyxitol	——	C₁₄H₃₀O₅Si	306.475

下游产品

中文名称	英文名称	CAS号	化学式	分子量
1H-咪唑并[1,2-b]吡唑-2-醇,7-氨基-6-甲基-	7-O-tert-butyldimethylsilyl-2,3,6-trideoxy-3,6-imino-4,5-O-isopropylidene-D-allo-heptononitrile	222631-08-5	C₁₆H₃₀N₂O₃Si	326.511
——	5-O-tert-butyldimethylsilyl-N-cyanomethyl-1,4-dideoxy-1,4-imino-2,3-O-isopropylidene-D-ribitol	577978-59-7	C₁₆H₃₀N₂O₃Si	326.511
——	4H-1,3-Dioxolo[4,5-c]pyrrole, 5-chloro-4-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]tetrahydro-2,2-dimethyl-, (3aR,4R,6aS)-	153172-32-8	C₁₄H₂₈ClNO₃Si	321.92
——	N-[3-amino-N-tert-butoxycarbonyl-propyl]-5-O-tert-butyldimethylsilyl-1,4-dideoxy-1,4-imino-2,3-O-isopropylidene-D-ribitol	1020107-38-3	C₂₂H₄₄N₂O₅Si	444.687
——	N-[2-amino-N-tert-butoxycarbonyl-ethyl]-5-O-tert-butyldimethylsilyl-1,4-dideoxy-1,4-imino-2,3-O-isopropylidene-D-ribitol	1020107-34-9	C₂₁H₄₂N₂O₅Si	430.66
——	(1S)-5-O-tert-butyldimethylsilyl-1,4-dideoxy-1-(3,3-diethoxyprop-1-ynyl)-1,4-imino-2,3-O-isopropylidene-D-ribitol	488855-75-0	C₂₁H₃₉NO₅Si	413.63
——	2-((3aS,6R,6aR)-6-(((tert-butyldimethylsilyl)oxy)methyl)-5-hydroxy-2,2-dimethyltetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl)acetonitrile	1610426-21-5	C₁₆H₃₀N₂O₄Si	342.511
——	5-O-tert-butyldimethylsilyl-1,4-dideoxy-1,4-imino-2,3-O-isopropylidene-N-(4-cyanobenzyl)-D-ribitol	1020107-46-3	C₂₂H₃₄N₂O₃Si	402.609
苯并呋喃,4,5,6,7-四氢-2-(1-甲基乙基)-	N-tert-butoxycarbonyl-6-O-tert-butyldimethylsilyl-2,5-dideoxy-2,5-imino-3,4-O-isopropylidene-D-allitol	258834-89-8	C₂₀H₃₉NO₆Si	417.618
——	5-O-tert-butyldimethylsilyl-1,4-dideoxy-1,4-imino-2,3-O-isopropylidene-N-(4-nitrobenzyl)-D-ribitol	1020107-42-9	C₂₁H₃₄N₂O₅Si	422.597
2-[2-[[5-亚氨基-3-甲基-1-(8-磺酸根-2-萘基)-4H-吡唑-4-基]偶氮]-5-[4-[[5-亚氨基-3-甲基-1-(8-磺酸根-2-萘基)-4H-吡唑-4-基]偶氮]-3-(2-羟基-2-羰基-乙氧基)苯基]苯氧基]乙酸四钠	N-tert-butoxycarbonyl-7-O-tert-butyldimethylsilyl-2,3,6-trideoxy-3,6-imino-4,5-O-isopropylidene-D-allo-heptononitrile	222631-09-6	C₂₁H₃₈N₂O₅Si	426.629
——	5-O-tert-butyldimethylsilyl-1,N-dehydro-1,4-dideoxy-1,4-imino-2,3-O-isopropylidene-D-ribitol	153172-33-9	C₁₄H₂₇NO₃Si	285.459
——	(3aS,4S,6R,6aR)-tert-butyl 4-(2-(tert-butoxy)-2-oxoethyl)-6-(((tert-butyldimethylsilyl)oxy)methyl)-2,2-dimethyldihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-5(4H)-carboxylate	——	C₂₅H₄₇NO₇Si	501.736
二萘并2,1-d:1,2-f1,3二噻庚英-4-甲醇,2,6-二甲基-α.-苯基-,立体异构体	(1S)-1-(4-bromophenyl)-5-O-tert-butyldimethylsilyl-1,4-dideoxy-1,4-imino-2,3-O-isopropylidene-D-ribitol	188744-83-4	C₂₀H₃₂BrNO₃Si	442.468
——	[(3aS,4S,6R,6aR)-4-(4-fluorophenyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methoxy-tert-butyl-dimethylsilane	188744-82-3	C₂₀H₃₂FNO₃Si	381.563
——	[(3aS,4S,6R,6aR)-4-(4-chlorophenyl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methoxy-tert-butyl-dimethylsilane	188744-81-2	C₂₀H₃₂ClNO₃Si	398.017
吡啶并[2,1-c][1,4]噁嗪-8(1H)-酮,3,4,9,9a-四氢-	4-[(3aS,4S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]aniline	188745-04-2	C₂₀H₃₄N₂O₃Si	378.587
b-D-吡喃葡萄糖苷,甲基2-叠氮-2-脱氧-1-硫代-	3-[(3aS,4S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]aniline	188745-03-1	C₂₀H₃₄N₂O₃Si	378.587
二环[2.2.1]庚烷-2-胺,N-丙基-,外-(9CI)	4-[(3aS,4S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]benzoic acid	188744-88-9	C₂₁H₃₃NO₅Si	407.582
——	5-O-tert-butyldimethylsilyl-1,4-dideoxy-1-β-(3,3-diethoxyprop-1-ynyl)-1,4-imino-2,3-O-isopropylidene-N-(2,2,2-trichloroethoxycarbonyl)-D-ribitol	588718-80-3	C₂₄H₄₀Cl₃NO₇Si	589.029
苯乙酸,a-[[1-[[(1,1-二甲基乙基)氨基]羰基]-2-甲基丙基]氨基]-,甲基酯,(aS)-	[(3aS,4S,6R,6aR)-2,2-dimethyl-4-pyridin-3-yl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-6-yl]methoxy-tert-butyl-dimethylsilane	188744-87-8	C₁₉H₃₂N₂O₃Si	364.56
(2S)-5,7-二羟基-2-(4-甲氧苯基)-6,8-二甲基-2,3-二氢-4H-色烯-4-酮	4-[(3aS,4S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]-N,N-bis(prop-2-enyl)aniline	188744-85-6	C₂₆H₄₂N₂O₃Si	458.717
——	5-O-tert-butyldimethylsilyl-1,N-dehydro-1,4-dideoxy-1,4-imino-2,3-O-isopropylidene-D-ribitol N-oxide	607389-17-3	C₁₄H₂₇NO₄Si	301.458
氨基甲酰亚胺基硫酸,甲基-,1H-咪唑-4-基甲基酯(9CI)	3-[(3aS,4S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]-N,N-bis(prop-2-enyl)aniline	188744-84-5	C₂₆H₄₂N₂O₃Si	458.717
1-氮杂二环[2.2.1]庚烷,3-(氨基氧代)-,内-(9CI)	N-tert-butoxycarbonyl-3,6-imino-4,5-O-isopropylidene-2,3,6-trideoxy-D-allo-heptononitrile	222631-50-7	C₁₅H₂₄N₂O₅	312.366
——	(1S)-N-tert-butoxycarbonyl-5-O-tert-butyldimethylsilyl-1-C-(1-cyano-2-hydroxyethenyl)-1,4-dideoxy-1,4-imino-2,3-O-isopropylidene-D-ribitol	284490-14-8	C₂₂H₃₈N₂O₆Si	454.639
4-氨基-3,6-二[[4-[(2,4-二氨基苯基)偶氮]苯基]偶氮]-5-羟基萘-2,7-二磺基酸,盐锂钠	(3aR,4R,6S,6aS)-tert-butyl 4-(((tert-butyldimethylsilyl)oxy)methyl)-6-((E/Z)-1-cyano-2-hydroxyvinyl)-2,2-dimethyldihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-5(4H)-carboxylate	222631-10-9	C₂₂H₃₈N₂O₆Si	454.639
2-氯-N-(2,3-二甲基苯基)-N-(丙烷-2-基)乙酰胺	(3aR,4R,6S,6aS)-4-(tert-Butyl-dimethyl-silanyloxymethyl)-6-[(Z)-1-cyano-2-(cyanomethyl-amino)-vinyl]-2,2-dimethyl-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylic acid tert-butyl ester	222631-45-0	C₂₄H₄₀N₄O₅Si	492.691

反应信息

作为反应物：

描述：

(3AR,4R,6AS)-4-[[[(叔丁酯)二甲基硅烷基]氧基]甲基]四氢-2,2-二甲基-4H-1,3-二氧杂环戊烯并[4,5-C]吡咯在 2,2,6,6-四甲基哌啶、 N-氯代丁二酰亚胺、正丁基锂作用下，以四氢呋喃、正戊烷为溶剂，反应 1.5h，生成二萘并2,1-d:1,2-f1,3二噻庚英-4-甲醇,2,6-二甲基-α.-苯基-,立体异构体

参考文献：

名称：

N-核糖水解酶和转移酶过渡态抑制剂的合成

摘要：

许多带有芳族OH，NH 2，NO 2，CO 2 H和卤素部分的1，4-二脱氧-1，4-亚氨基-1-（S）-（取代的苯基）-d-核糖醇，以及3-吡啶类似物已经合成。关键步骤是芳基锂或芳基格氏试剂与亚胺3的缩合。衍生自受保护的1,4-二脱氧-1,4-亚氨基-d-核糖醇4。

DOI：

10.1016/s0040-4020(96)01172-6
作为产物：

描述：

(2R,3R,4S)-2-(羟基甲基)吡咯烷-3,4-二醇在咪唑、对甲苯磺酸作用下，以二氯甲烷、 N,N-二甲基甲酰胺为溶剂，反应 15.0h，生成 (3AR,4R,6AS)-4-[[[(叔丁酯)二甲基硅烷基]氧基]甲基]四氢-2,2-二甲基-4H-1,3-二氧杂环戊烯并[4,5-C]吡咯

参考文献：

名称：

烟酰胺磷酸核糖基转移酶（NAMPT）抑制剂FK866的C-亚氨基呋喃呋喃糖苷类似物的合成

摘要：

FK866（也称为APO866或WK175）是一种有效的NAMPT抑制剂，正在接受评估（阶段II），作为一种潜在的抗癌药物。的制备Ç -iminoribofuranoside类似物（2 ë - ）ñ - [4-（1-苯甲酰哌啶-4-基）丁基] -3- {3 - [（2小号，3小号，4 - [R，5 - [R ）-报告了3,4-二羟基-5-（羟甲基）吡咯烷-2--2-基]苯基} prop-2-烯酰胺（（-）- 1）。

DOI：

10.1002/hlca.201100415

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文献信息

Process for preparing 2-pyrrolidinyl-1H-pyrrolo[3,2-d]pyrimidine inhibitors of nucleoside metabolism

申请人：Industrial Research Limited

公开号：US06693193B1

公开（公告）日：2004-02-17

A process of preparing a compound of the formula (I) wherein B is chosen from OH, NH2, NHR, H or halogen; D is chosen from OH, NH2, NHR, H halogen or SCH3; R is an optionally substituted alkyl, aralkyl or aryl group; and Z is selected from OH, hydrogen, halogen, hydroxy, SQ or OQ, Q is an optionally substituted all, aralkyl or aryl group; or a tautomer thereof; or a pharmaceutically acceptable salt thereof; or an ester thereof; or a prodrug thereof, which comprises reacting a compound of the formula (II) with an anion produced by abstraction of the bromine or iodine atom from a compound of formula (XIX), to form a compound of formula (XX) The compound of formula (XX) is N- and O-deprotected to obtain the compound of formula (I).

将公式（I）的化合物制备过程翻译成中文：其中B选择自OH、NH2、NHR、H或卤素；D选择自OH、NH2、NHR、H、卤素或SCH3；R是可选择取代的烷基、芳基烷基或芳基；Z选择自OH、氢、卤素、羟基、SQ或OQ，Q是可选择取代的烷基、芳基烷基或芳基；或其互变异构体；或其药学上可接受的盐；或其酯；或其前药，包括将公式（II）的化合物与通过从公式（XIX）的化合物中提取溴或碘原子而产生的负离子反应，形成公式（XX）的化合物。公式（XX）的化合物经N-和O去保护得到公式（I）的化合物。
[EN] PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST THE RESPIRATORY SYNCYTIAL VIRUS (RSV)<br/>[FR] PYRAZOLOPYRIMIDINES AYANT UNE ACTIVITÉ CONTRE LE VIRUS RESPIRATOIRE SYNCYTIAL (VRS)

申请人：JANSSEN SCIENCES IRELAND UNLIMITED CO

公开号：WO2019106004A1

公开（公告）日：2019-06-06

The invention concerns compounds having antiviral activity, in particular, having an inhibitory activity on the replication of the respiratory syncytial virus (RSV). The invention further concerns pharmaceutical compositions comprising these compounds and the compounds for use in the treatment of respiratory syncytial virus infection. Formula (Ia).

这项发明涉及具有抗病毒活性的化合物，特别是对呼吸道合胞病毒（RSV）复制具有抑制活性的化合物。该发明还涉及包含这些化合物的药物组合物，以及用于治疗呼吸道合胞病毒感染的化合物。公式（Ia）。
[EN] INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND NUCLEOSIDASES<br/>[FR] INHIBITEURS DES PHOSPHORYLASES DE NUCLEOSIDE ET DES NUCLEOSIDASES

申请人：EINSTEIN COLL MED

公开号：WO2004018496A1

公开（公告）日：2004-03-04

The present invention relates to compounds of the general formula (I) which are inhibitors of purine muclioside phosphorylases (PNP), purine phosphoribosyltransferases (PPRT), 5'-methylthioadenosine phosphorylases (MTAP), 5'-methylthioadenosine mucliosidases (MTAN) and/or nucleoside hydrolases (NH). The invention also relates to the use of these compounds in the treatment of diseases and infections including cancer, bacterial infections, protozoal infections, and T-cell mediated disease and to pharmaceutical compositions containing the compounds.

本发明涉及一般式(I)的化合物，这些化合物是嘌呤核苷酸磷酸化酶（PNP），嘌呤磷酸核糖基转移酶（PPRT），5'-甲硫腺苷磷酸酶（MTAP），5'-甲硫腺苷核苷酸酶（MTAN）和/或核苷酸水解酶（NH）的抑制剂。本发明还涉及这些化合物在治疗疾病和感染，包括癌症、细菌感染、原虫感染和T细胞介导的疾病中的用途，以及含有这些化合物的药物组合物。
[EN] COMPOSITIONS AND METHODS FOR INHIBITING VIRAL POLYMERASE<br/>[FR] COMPOSITIONS ET PROCÉDÉS D'INHIBITION D'UNE POLYMÉRASE VIRALE

申请人：BIOCRYST PHARM INC

公开号：WO2013158746A1

公开（公告）日：2013-10-24

Provided are compounds of Formula (I) as described herein. Compounds of Formula (I) are useful in methods of inhibiting viral RNA polymerase activity and viral replication. Also provided are pharmaceutical compositions comprising compounds of Formula (I), as well as methods of treating viral infections using compounds of Formula (I).

本文描述的是Formula (I)的化合物。Formula (I)的化合物在抑制病毒RNA聚合酶活性和病毒复制的方法中很有用。还提供了包含Formula (I)化合物的药物组合物，以及使用Formula (I)化合物治疗病毒感染的方法。
Exploring Structure−Activity Relationships of Transition State Analogues of Human Purine Nucleoside Phosphorylase

作者：Gary B. Evans、Richard H. Furneaux、Andrzej Lewandowicz、Vern L. Schramm、Peter C. Tyler

DOI：10.1021/jm030145r

日期：2003.7.1

transition state analogue inhibitors of purine nucleoside phosphorylase, a therapeutic target for the control of T-cell proliferation. Immucillin analogues modified at the 2'-, 3'-, or 5'-positions of the azasugar moiety or at the 6-, 7-, or 8-positions of the deazapurine, as well as methylene-bridged analogues, have been synthesized and tested for their inhibition of human purine nucleoside phosphorylase. All

氮杂-C-核苷Immucillin-H和Immucillin-G是嘌呤核苷磷酸化酶的过渡态类似物抑制剂，嘌呤核苷磷酸化酶是控制T细胞增殖的治疗靶标。已合成在氮杂嘌呤部分的2'-，3'-或5'-位或在脱氮嘌呤的6-，7-或8-位修饰的Immucillin类似物以及亚甲基桥连的类似物。并测试了它们对人嘌呤核苷磷酸化酶的抑制作用。所有类似物都是较弱的抑制剂，这反映了母体imimcillins对过渡状态特征的更好捕获。