七种与多受体酪氨酸激酶抑制剂舒尼替尼相关的3-亚甲基-1H-吲哚-2(3H)-酮。
Seven 3-methylidene-1H-indol-2(3H)-ones related to the multiple-receptor tyrosine kinase inhibitor sunitinib.
作者信息
Spencer John, Chowdhry Babur Z, Hamid Samiyah, Mendham Andrew P, Male Louise, Coles Simon J, Hursthouse Michael B
机构信息
School of Science, University of Greenwich at Medway, Central Avenue, Chatham, Kent ME4 4TB, England.
出版信息
Acta Crystallogr C. 2010 Feb;66(Pt 2):o71-8. doi: 10.1107/S0108270109054134. Epub 2010 Jan 15.
The solid-state structures of a series of seven substituted 3-methylidene-1H-indol-2(3H)-one derivatives have been determined by single-crystal X-ray diffraction and are compared in detail. Six of the structures {(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2(3H)-one, C(13)H(10)N(2)O, (2a); (3Z)-3-(2-thienylmethylidene)-1H-indol-2(3H)-one, C(13)H(9)NOS, (2b); (3E)-3-(2-furylmethylidene)-1H-indol-2(3H)-one monohydrate, C(13)H(9)NO(2).H(2)O, (3a); 3-(1-methylethylidene)-1H-indol-2(3H)-one, C(11)H(11)NO, (4a); 3-cyclohexylidene-1H-indol-2(3H)-one, C(14)H(15)NO, (4c); and spiro[1,3-dioxane-2,3'-indolin]-2'-one, C(11)H(11)NO(3), (5)} display, as expected, intermolecular hydrogen bonding (N-H...O=C) between the 1H-indol-2(3H)-one units. However, methyl 3-(1-methylethylidene)-2-oxo-2,3-dihydro-1H-indole-1-carboxylate, C(13)H(13)NO(3), (4b), a carbamate analogue of (4a) lacking an N-H bond, displays no intermolecular hydrogen bonding. The structure of (4a) contains three molecules in the asymmetric unit, while (4b) and (4c) both contain two independent molecules.
通过单晶X射线衍射测定了一系列七种取代的3-亚甲基-1H-吲哚-2(3H)-酮衍生物的固态结构，并进行了详细比较。其中六个结构{（3Z）-3-（1H-吡咯-2-基亚甲基）-1H-吲哚-2(3H)-酮，C(13)H(10)N(2)O，(2a)；（3Z）-3-（2-噻吩基亚甲基）-1H-吲哚-2(3H)-酮，C(13)H(9)NOS，(2b)；（3E）-3-（2-呋喃基亚甲基）-1H-吲哚-2(3H)-酮一水合物，C(13)H(9)NO(2).H(2)O，(3a)；3-（1-甲基亚乙基）-1H-吲哚-2(3H)-酮，C(11)H(11)NO，(4a)；3-环己基亚甲基-1H-吲哚-2(3H)-酮，C(14)H(15)NO，(4c)；以及螺[1,3-二氧杂环己烷-2,3'-吲哚啉]-2'-酮，C(11)H(11)NO(3)，(5)}如预期所示，在1H-吲哚-2(3H)-酮单元之间存在分子间氢键（N-H...O=C）。然而，3-（1-甲基亚乙基）-2-氧代-2,3-二氢-1H-吲哚-1-羧酸甲酯，C(13)H(13)NO(3)，(4b)，一种缺乏N-H键的(4a)的氨基甲酸酯类似物，没有分子间氢键。(4a)的结构在不对称单元中包含三个分子，而(4b)和(4c)都包含两个独立的分子。
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