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药物分子的羧基引入¹³C同位素标记法药
发布时间:2020-12-15     作者:wyf   分享到:

药物分子的羧基引入13C同位素标记

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结构式


把原料溶解在二甲基甲酰胺(DMF)中,然后放在13C标记的二氧化碳气氛(13CO21个大气压)里,等几个小时就搞定了!根据底物结构的不同,反应甚至在20 ℃下经过1小时就能以高收率获得高纯度的13C标记产物,甚至DMF溶液中有水也不要紧,只要别超过0.01 M就可以了。

通常的办法都包括:把原来的羧基脱除,再想办法用13C标记的碳源引入一个羧基。有机化学家在这两类反应上都做了大量的研究。尽管羧基在大多数条件下都相当稳定,但为了脱羧,前有入选有机化学教材的柯尔伯脱羧,后有近年来火热的光氧化还原脱羧。而要引入羧基,则常常需要依赖强亲核试剂或在电化学过程中原位形成等当量还原剂。反应条件上的巨大差异使得脱羧和羧化反应看似不可能在“一锅”里完成。

但是,在自然界,脱羧反应和羧化反应却一直是在“一锅”里完成的。原则上,如果脱除羧基形成二氧化碳能和它的逆反应同时发生,形成一个化学平衡,那么原则上只要在反应体系中加入过量的13C标记二氧化碳,就能推动化学平衡向生成13C标记羧基的方向移动。

实际上,近年来已经有一些小组探索了简单脂肪酸的可逆脱羧/羧化反应,但高温(280 -400 ℃)限制了它们的应用价值。在室温或接近室温的条件下实现这个过程依然是挑战。

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脂肪酸可逆脱羧/羧化反应的探索。

在这项工作中,将4-氰基苯乙酸钾(1)溶解在DMF中(浓度0.1 M),通入13 mL13C标记二氧化碳(1个大气压,按当量算约6倍当量,此时二氧化碳在DMF中的浓度约0.2 M)。通过监控反应,发现在20 ℃下,同位素交换反应在15小时左右达到平衡,简单的酸碱萃取即可以83%的收率获得13C富集的产物。

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1CO2交换(红色)和MeOH质子化(黑色)的比较。

进一步的研究发现,实验中羧酸盐的抗衡阳离子和溶剂种类对反应有着重要影响。如果仅是羧酸,即4-氰基苯乙酸,升温到70℃也没有明显反应;抗衡阳离子为锂离子和钠离子时虽然能反应,但速度较慢。介电常数大于30的极性非质子溶剂对反应是必要的,但体系中少量的水(低于0.01 M)以及甲醇也能被兼容。这些结果表明溶剂化的离子对能**促进反应进行。

产品供应:

cas号中文名称英文名称
74223-64-6UN甲磺隆-D3Metsulfuron-methyl-d3
217487-17-7异丙隆-D6Isoproturon-d6
3811-25-4UN氯丙那林-D7Clorprenaline-d7
1794810-59-5盐酸班布特罗-D9Bambuterol-d9hydrochloride

苯乙醇胺A-D3PhenylethanolamineA-d3
1276197-17-1盐酸莱克多巴胺-D6Ractopamine-d6hydrochloride
184006-60-8盐酸克伦特罗-D9Clenbuterol-d9hydrochloride
1346601-00-0羟甲基克仑特罗-D6Hydroxymethylclenbuterol-d6
1173021-09-4克伦丙罗-D7Clenproperol-d7
1325559-18-9盐酸马喷特罗-D11Mapenterolhydrochloride-d11
1219794-72-5盐酸莱克多巴胺-D3Ractopamine-d3hydrochloride
1346599-61-8克伦塞罗-D10Clencyclohexerol-d10
1353940-55-2溴布特罗-D9Brombuterol-d9
1346605-01-3盐酸喷布特罗-D9Penbutolol-d9hydrobromide
1325559-14-5盐酸妥布特罗-D9Tulobuterol-d9hydrochloride
1246819-04-4西布特罗-D9Cimbuterol-d9
1794793-20-6克仑潘特盐酸盐D5Clenpenterold5hydrochloride
497063-94-2沙美特罗-D3Salmeterol-d3
1346599-83-4可尔特罗代谢物-D93-o-methylcolterol-d9
1246819-58-8马布特罗-D9Mabuterol-d9
1353867-94-3盐酸溴布特罗-D9Brombuterol-d9hydrochloride
1173021-73-2沙丁醇胺-D9Racalbuterol-d9
97825-25-7UN莱克多巴胺盐酸盐-D5Ractopamine-d5hydrochloride
18559-94-9UN沙丁胺醇-D4Albuterol-d4
1217818-36-4齐帕特罗-D7Zilpaterol-d7
1228182-44-2西马特罗D7Cimaterol-d7
1219798-60-3沙丁胺醇-D3Salbutamol-d3
1286129-04-1盐酸非诺特罗-D6Fenoterol-d6hydrobromide
203633-19-6多巴胺盐酸盐-D4Dopamine-d4hydrochloride
129138-58-5克伦特罗-D9Clenbuterol-d9
1189658-09-0特布他林-D9Terbutaline-d9
1217226-46-4呋喃妥因-13C3Nitrofurantoin-13c3
1015855-64-7呋喃它酮-D5Furaltadone-d5
1217222-76-8呋喃唑酮-D4Furazolidone-d4
1217220-85-3呋喃西林-13C,15N2Nitrofurazone-13C,15N2
957509-31-8呋喃妥因代谢物-13C3AHD-13C3
1007476-86-9呋喃妥因代谢物衍生物-13C32-NP-AHD-13C3
1017793-94-0呋喃它酮代谢物-D5AMOZ-d5
1173097-59-0呋喃它酮代谢物衍生物-D52-NP-AMOZ-d5
1188331-23-8呋喃唑酮代谢物-D4AOZ-d4
1007478-57-0呋喃唑酮代谢物衍生物-D42-NP-AOZ-d4
1173020-16-0呋喃西林代谢物-13C,15N2SCA-HCL-13C,15N2
957509-32-9呋喃西林代谢物衍生物-13C,15N22-NP-SCA-13C,15N2
1258668-21-1孔雀石绿-D5苦味酸盐Malachitegreen-d5picrate
1173021-13-0隐色孔雀石绿-D6Leucomalachitegreen-d6
1266676-01-0结晶紫-D6Crystalviolet-d6
1173023-92-1隐色结晶紫-D6Leucocrystalviolet-d6
947601-82-3隐性孔雀石绿-D5Leucomalachitegreen-d5
1189863-86-2磺胺吡啶-D4Sulfapyridine-d4
1020719-78-1磺胺嘧啶-D4Sulfadiazine-d4
1020719-84-9磺胺甲基嘧啶-D4Sulfamerazined4
1020719-82-7磺胺二甲基嘧啶-D4Sulfamethazine-d4
1330266-05-1磺胺邻二甲氧嘧啶-D4Sulfadoxine-d4
1020719-80-5磺胺间二甲氧嘧啶-D4Sulfadimethoxine-d4
1286538-12-2磺胺间甲氧基嘧啶-D4Sulfamonomethoxine-d4
1189483-96-2磺胺对甲氧嘧啶-D4Sulfameter-d4
1020719-89-4磺胺噻唑-D4Sulfathiazole-d4
526-08-9UN磺胺苯吡唑-D4Sulfaphenazole-d4
1215530-54-3乙酰磺胺甲恶唑-D4Acetylsulfamethoxazole-d4
1020719-86-1磺胺甲基异噁唑-D4Sulfamethoxazole-d4
1329652-02-9磺胺喹恶啉-D4Sulfaquinoxaline-d4
102-65-8UN磺胺氯吡嗪-D4Sulfachloropyrazine-d4
80-32-0UN磺胺氯哒嗪-D4Sulfachloropyridazine-d4
80-35-3UN磺胺甲氧哒嗪-D4Sulfamethoxypyridazine-d4
144-80-9UN磺胺醋酰D4Sulfacetamide-d4
144-82-1UN磺胺甲噻二唑-D4Sulfamethizole-d4
963-14-4UN磺胺乙氧嗪-D4Sulfaethoxypyridazine-d4
515-64-0磺胺二甲异嘧啶-D4Sulfisomidine-d4
63-74-1UN磺胺-D4Sulfanilamide-d4
1388717-81-4磺胺二甲恶唑-D4Sulfisoxazole-d4
127-71-9UN磺胺苯甲酰-D4Sulfabenzamide-d4
1794753-46-0磺胺硝苯-D4Sulfanitran-d4
93951-89-4邻苯二甲酸二甲酯-3,4,5,6-D4(Dmp)Dimethylphthalate-3,4,5,6-d4
93952-12-6邻苯二甲酸二乙酯-3,4,5,6-D4(Dep)Diethylphthalate-3,4,5,6-d4
358730-88-8邻苯二甲酸二异丁酯-3,4,5,6-D4(Dibp)Diisobutylphthalate-3,4,5,6-d4
93952-11-5邻苯二甲酸二丁酯-3,4,5,6-D4(Dbp)Dibutylphthalate-3,4,5,6-d4
1015854-55-3邻苯二甲酸二己酯-3,4,5,6-D4(Dhxp)Dihexylphthalate-3,4,5,6-d4
358730-89-9邻苯二甲酸二戊酯-3,4,5,6-D4(Dpp)Dipentylphthalate-3,4,5,6-d4
93951-88-3邻苯二甲酸丁苄酯-3,4,5,6-D4(Bbp)Benzylbutylphthalate-3,4,5,6-d4
1398065-61-6邻苯二甲酸二苯酯-3,4,5,6-D4(Dphp)Diphenylphthalate-3,4,5,6-d4
1202865-43-7邻苯二甲酸二壬酯-3,4,5,6-D4(Dnp)Dinonylphthalate-3,4,5,6-d4
93952-13-7邻苯二甲酸二辛酯-3,4,5,6-D4(Dnop)Dioctylphthalate-3,4,5,6-d4
1398065-96-7邻苯二甲酸二(2-丁氧基乙基)酯-3,4,5,6-D4(Dbep)Bis(2-butoxyethyl)phthalate-3,4,5,6-d4
1398065-54-7邻苯二甲酸二(2-甲氧基)乙酯-3,4,5,6-D4(Dmep)Bis(2-methoxyethyl)phthalate-3,4,5,6-d4
1398066-13-1邻苯二甲酸二(4-甲基-2-戊基)酯-3,4,5,6-D4(Bmpp)Bis(4-methyl-2-pentyl)phthalate-3,4,5,6-d4
1398066-12-0邻苯二甲酸二(2-乙氧基)乙酯-3,4,5,6-D4(Deep)Bis(2-ethoxyethyl)phthalate-3,4,5,6-d4
358731-25-6邻苯二甲酸二环己酯-3,4,5,6-D4(Dchp)Dicyclohexylphthalate-3,4,5,6-d4
93951-87-2邻苯二甲酸二(2-乙基己基)酯-3,4,5,6-D4(Dehp)Bis(2-ethylhexyl)phthalate-3,4,5,6-d4
1173020-20-61,3-二氯-2-丙醇-D5(1,3-Dcp)1,3-Dichloro-2-propanol-d5
342611-01-23-氯-1,2-丙二醇-D5(3-Mcpd)3-Chloro-1,2-propanediol
1216764-05-42-氯-1,3-丙二醇-D5(2-Mcpd)2-Chloro-1,3-propanediol
73962-07-9氨基甲酸乙酯-D5Ethyl-d5carbamate
752211-63-5苏丹红I-D5SudanI-d5
1398109-09-5苏丹红G-D3SudanredG-d3
1014689-17-8苏丹红Ⅲ-D6SudanⅢ-d6
1398109-08-4二甲基黄-D5Dimethylyellow-d5
362049-51-2对羟基苯甲酸甲酯-D4Methyl4-hydroxybenzoate-2,3,5,6-d4
1219795-53-5乙基4-羟基苯甲酸酯-2,3,5,6-D4Ethyl4-hydroxybenzoate-2,3,5,6-d4
1219802-67-1正丙基-4-羟基苯甲酸酯-2,3,5,6-D4N-propyl4-hydroxybenzoate-2,3,5,6-d4
1219798-67-0正丁基-4-羟基苯甲酸酯-2,3,5,6-D4N-butyl4-hydroxybenzoate-2,3,5,6-d4
1219798-66-9正戊基-4-羟基苯甲酸酯-2,3,5,6-D4N-pentyl4-hydroxybenzoate-2,3,5,6-d4
1219802-40-0苄基-2-羟基苯甲酸酯-3,4,5,6-D4Benzyl2-hydroxybenzoate-3,4,5,6-d4
1329509-49-0盐酸甲基异噻唑啉酮-D3Methylisothiazolinone-d3hydrochloride
81103-79-9芴-D10Fluorene-d10
1718-52-1芘-D10Pyrene-d10
1719-06-8蒽-D10Anthracene-d10
1146-65-2萘-D8Naphthalene-d8
1517-22-2菲-D10Phenanthrene-d10
15067-26-2苊-D10Acenaphthene-d10
1520-96-3苝-D12Perylene-d12
1719-03-5屈-D12Chrysene-d12
93951-97-4苊烯-D8Acenaphylthene-d8
63466-71-7苯并[A]芘-D12Benzo[a]pyrene-d12
205440-82-0苯并[E]芘-D12Benzo[e]pyrene-d12
93951-69-0荧蒽-D10Fluoranthene-d10
93951-98-5苯并[B]荧蒽-D12Benzo[b]fluoranthene-d12
93952-01-3苯并[K]荧蒽-D12Benzo[k]fluoranthene-d12
93951-66-7苯并[G,H,I]苝-D12Benzo[g,h,i]perylene-d12
13250-98-1二苯并[A,H]蒽-D14Dibenz[a,h]anthracene-d14
203578-33-0茚并(1.2.3-C.D)芘-D12Indeno[1,2,3-cd]pyrene-d12
1262843-46-825-羟基维生素D2-D625-HydroxyvitaminD2-d6
78782-98-625-羟基维生素D3-D625-HydroxyvitaminD3-d6
1217467-39-425-羟基维生素D2-D325-HydroxyvitaminD2-d3
140710-94-725-羟基维生素D3-D325-HydroxyvitaminD3-d3
18806-29-6L-丙氨酸-2,3,3,3-D4L-Alanine-d4
113892-08-3α-维生素E-D6α-Tocopherol-d6
372-75-8L-瓜氨酸-5,5-D2L-Citrulline-5,5-d2
1233937-39-7维生素K1-D7VitaminK1-d7
87828-86-2L-亮氨酸-D3L-Leucine-5,5,5-d3
13010-53-2L-蛋氨酸-D3L-Methionine-d3
347841-40-1L-鸟氨酸盐酸盐-D6L-Ornithine:HCL-3,3,4,4,5,5-d6
478171-80-1维生素K3-D8VitaminK3-d8
180268-82-0L-苯丙氨酸-13C6L-Phenylalanine-13C6
201595-63-3L-4-羟基苯基-13C6-丙氨酸L-Tyrosine-13C6
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1334532-19-2L-丙酰肉碱盐酸盐-D3Propionyl-L-carnitine-d3HCL(n-methyl-d3)
1334532-21-6L-丁酰肉碱盐酸盐-D3Butyryl-L-carnitine-d3HCL(n-methyl-d3)

L-异戊酰肉碱盐酸盐-D92-Methylbutyryl-L-carnitine-d9chloride

L-戊二酰肉碱盐酸盐-D6L-Glutarylcarnitine-d6chloride

L-己酰肉碱盐酸盐-D3Hexanoyl-L-carnitine-d3HCL(n-methyl-d3)
1334532-24-9L-辛酰肉碱盐酸盐-D3Octanoyl-L-carnitine-d3HCL(n-methyl-d3)

L-癸酰肉碱盐酸盐-D3Decanoyl-L-carnitine-d3HCL(n-methyl-d3)

L-十二碳酰肉碱盐酸盐-D3Dodecanoyl-L-carnitine-d3HCL(n-methyl-d3)
1334532-25-0L-十四碳酰肉碱盐酸盐-D3Tetradecanoyl-L-carnitine-d3HCL(n-methyl-d3)
1334532-26-1L-十六碳酰肉碱盐酸盐-D3Palmitoyl-L-carnitine-d3HCL(n-methyl-d3)
2245711-27-5L-十八碳酰肉碱盐酸盐-D3Octadecanoyl-L-carnitine-d3HCL(n-methyl-d3)
284487-60-1DL-3-羟基十四烷酸-2,2,3,4,4-D5DL-3-Hydroxymyristicacid-2,2,3,4,4-d5
506-30-9UN二十烷酸-12,12,13,13-D4Arachidicacid-12,12,13,13-d4
232600-70-3二十烷酸-2,2-D2Arachidicacid-2,2-d2
39756-32-6二十烷酸-D39Arachidicacid-d39
156779-02-1丁酸-3,3,4,4,4-D5Butyricacid-3,3,4,4,4-d5
73607-83-7丁酸-D7Butyricacid-d7
92543-08-3胆固醇-2,2,3,4,4,6-D6Cholesterol-2,2,3,4,4,6-d6
83199-47-7胆固醇-25,26,26,26,27,27,27-D7Cholesterol-25,26,26,26,27,27,27-d7
57-88-5UN胆固醇-25,26,26,26-D4Cholesterol-25,26,26,26-d4
88170-22-3正癸酸-D19Decanoicacid-d19
102611-15-4正癸酸-D3Decanoicacid-d3
352431-41-5十七烷酸-D33Heptadecanoicacid-d33
202528-95-8十七烷酸-D3Heptadecanoicacid-d3
111-14-8UN庚酸-2,2,3,3-D4Heptanoicacid-2,2,3,3-d4
130348-93-5庚酸-D13Heptanoicacid-d13
506-46-7UN蜡酸-3,3,5,5-D4Hexacosanoicacid-3,3,5,5-d4
55320-65-5己酸-2,2-D2Hexanoicacid-2,2-d2
95348-44-0己酸-D11Hexanoicacid-d11


Hexanoicacid-d3
344298-81-3异戊酸-D9Isovalericacid-d9
59154-43-7月桂酸-D23Lauricacid-d23
79050-22-9月桂酸-D3Lauricacid-d3
327077-03-2肉豆蔻酸-13,13,14,14,14-D5Myristicacid-13,13,14,14,14-d5
60658-41-5肉豆蔻酸-D27Myristicacid-d27
62217-71-4肉豆蔻酸-D3Myristicacid-d3
134646-27-8壬酸-9,9,9-D3Nonanoicacid-9,9,9-d3
130348-94-6壬酸-D17Nonanoicacid-d17
69974-55-6辛酸-D15Octanoicacid-d15
5711-29-5油酸-9,10-D2Oleicacid-9,10-d2
112-80-1UN油酸-D33Oleicacid-d33
62689-96-7棕榈酸-2,2-D2Palmiticacid-2,2-d2
39756-30-4棕榈酸-D31Palmiticacid-d31
75736-53-7棕榈酸-D3Palmiticacid-d3
339080-77-2癸二酸-2,2,9,9-D4Sebacicacid-2,2,9,9-d4
211443-83-3硬脂酸-17,17,18,18,18-D5Stearicacid-17,17,18,18,18-d5
17660-51-4硬脂酸-D35Stearicacid-d35

α-鼠胆酸-2,2,3,4,4-D5α-Muricholicacid-2,2,3,4,4-d5

β-鼠胆酸-2,2,3,4,4-D5β-Muricholicacid-2,2,3,4,4-d5

γ-鼠胆酸-2,2,3,4,4-D5γ-Muricholicacid-2,2,3,4,4-d5

鹅去氧胆酸-2,2,3,4,4,6,6,7,8-D9Chenodeoxycholicacid-2,2,3,4,4,6,6,7,8-d9

鹅去氧胆酸-2,2,3,4,4-D5Chenodeoxycholicacid-2,2,3,4,4-d5

鹅去氧胆酸-2,2,4,4-D4Chenodeoxycholicacid-2,2,4,4-d4
53007-09-3胆酸-2,2,3,4,4-D5Cholicacid-2,2,3,4,4-d5
116380-66-6胆酸-2,2,4,4-D4Cholicacid-2,2,4,4-d4

脱氧胆酸-2,2,4,4,11,11-D6Deoxycholicacid-2,2,4,4,11,11-d6
112076-61-6脱氧胆酸-2,2,4,4-D4Deoxycholicacid-2,2,4,4-d4

甘氨胆酸-2,2,4,4-D4Glycocholicacid-2,2,4,4-d4

甘氨脱氧胆酸-2,2,4,4,11,11-D6Glycodeoxycholicacid-2,2,4,4,11,11-d6
1069132-37-1甘氨脱氧胆酸-2,2,4,4-D4Glycodeoxycholicacid-2,2,4,4-d4
2044276-16-4甘氨石胆酸-2,2,4,4-D4Glycolithocholicacid-2,2,4,4-d4
83701-16-0石胆酸-2,2,4,4-D4Lithocholicacid-2,2,4,4-d4

上述列表同位素标记产品,仅用于科研,不可用于人体实验!

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