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hupine

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study the structure-activity relationships(SAR)of the title compounds£®. Methods: Based on the SAR of Indomethacin and related molecular modeling studies, 2-(1-(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid  were designed and synthesized . With 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylic acid as a raw material, a multi-step reaction to synthetic the target compound. Results and conclusion: did not see literature synthesized reported the new compounds, The structures of target compounds were confirmed by IR£¬1H¡ªNMR£¬MS spectra and elemental analysis.



ßÅßáÃÀÐÁ  Indomethacin
¶ÔÂȱ½¼×Ëá 4-Chlorobenzoic acid
1,3-¶þ¼×»ù-4-äå-1H-ßÁßò-5-¼×Ëá 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylic acid
¶Ô¼×Ñõ»ù±½°· p-Anisidine
ÑÇÁòËáÄÆ Sodium sulfite
п·Û Zinc dust
¶Ô¼×Ñõ»ù±½ë»ÇËáÄÆ 2-(4-METHOXYPHENYL)HYDRAZINESULFONIC ACID SODIUM SALT MONOHYDRATE
¶þÂÈÑÇí¿ Thionyl chloride
1,3-¶þ¼×»ù-4-äå-1H-ßÁßò-5-¼×õ£ÂÈ 4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl chloride

ÒÒõ£±ûËá Levulinic acid
2-¼×»ù-1-(1,3-¶þ¼×»ù-4-äå-1H-ßÁßò-5-¼×õ£»ù)-5-¼×Ñõ»ù-1H-ßÅßá-3-ÒÒËá 2-(1-(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid

[ Last edited by hupine on 2011-5-29 at 00:46 ]

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hupine

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2Â¥2011-05-29 19:54:59
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zxs1989

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3Â¥2011-05-30 01:20:30
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zxs1989

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hupine(½ð±Ò+13, ·­ÒëEPI+1): ·Ç³£¸Ðл 2011-05-30 08:28:45
Mally89(½ð±Ò+2): ¸ÐлӦÖú£¡~»¶Ó­³£À´£¡~ 2011-05-30 11:18:23
Indomethacin, although a potent non-steroid antiinflammatory drug, has been known as a strong gastrointestine irritant and for its serious side effects on the liver function, the hemopoietic system, and the central nervous system. It¡¯s highly desirable to obtain indole drugs with relatively small adverse effects via structural reformation of indomethacin and to study their structure-activity relationships(SAR)£® Methods: Based on the SAR of indomethacin and related molecular modeling studies, 2-(1-(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid  were designed and synthesized through a multi-step reaction from 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylic acid. Results and conclusion: New indole compounds which have not been reported before were synthesized, and all their structures were confirmed by IR£¬1H¡ªNMR£¬MS, and elemental analysis.

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