2,6-di-tert-butylisonicotinic acid | 191478-92-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2,6-di-tert-butylisonicotinic acid
• 英文别名: 2,6-ditert-butylpyridine-4-carboxylic acid
• CAS: 191478-92-9
• 化学式: C₁₄H₂₁NO₂
• 分子量: 235.326
• InChiKey: BWHIWEBPMRLTOT-UHFFFAOYSA-N

物化性质

• 沸点：
  354.1±42.0 °C(Predicted)
• 密度：
  1.029±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,6-di-tert-butylisonicotinic acid 、 甲基4-氨基-2-硝基苯甲酸酯 生成 2-nitro-4-[(2',6'-di-tert-butylpyrid-4'-yl)carbamoyl]benzoic acid
  参考文献：
  名称：

  Substituted heteroarylamides having retinoid-like biological activity

  摘要：

  式为##STR1##的化合物具有类似视黄醇的生物活性，其中符号的含义如规范描述。

  公开号：

  US05663357A1
• 作为产物：
  描述：

  (2,6-di-tert-butylpyridin-4-yl)methanol 以 异丙醇 、 丙酮 为溶剂， 生成 2,6-di-tert-butylisonicotinic acid
  参考文献：
  名称：

  Substituted heteroarylamides having retinoid-like biological activity

  摘要：

  式为##STR1##的化合物具有类似视黄醇的生物活性，其中符号的含义如规范描述。

  公开号：

  US05663357A1

文献信息

• CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS
  申请人：Galemmo, JR. Robert

  公开号：US20090270394A1

  公开（公告）日：2009-10-29

  Methods and compounds effective in ameliorating conditions characterized by unwanted calcium channel activity, particularly unwanted N-type and/or T-type calcium channel activity are disclosed. Specifically, a series of compounds of substituted or unsubstituted cyclylamine derivatives as shown in formulas (1).

  揭示了在改善以不需要的钙通道活性为特征的情况下有效的方法和化合物，特别是不需要的N型和/或T型钙通道活性。具体而言，公开了一系列经取代或未取代的环胺衍生物的化合物，如公式（1）所示。
• Methods of treatment with compounds having RAR.sub..alpha. receptor
  申请人：Allergan Sales, Inc.

  公开号：US05965606A1

  公开（公告）日：1999-10-12

  Retinoid compounds which act specifically or selectively on RAR.sub..alpha. receptor subtypes in preference over RAR.sub..beta. and RAR.sub..gamma. receptor subtypes, posses desirable pharmaceutical properties associated with retinoids, and are particularly suitable for treatment of tumors, such as acute monocytic leukemia, cervical carcinoma, myeloma, ovarian carcinomas and head and neck carcinomas, without having one or more undesirable side effects of retinoids, such as inducement of weight loss, mucocutaneous toxicity, skin irritation and teratogenecity.

  对RAR.sub..alpha.受体亚型具有特异性或选择性作用，优先于RAR.sub..beta.和RAR.sub..gamma.受体亚型的视黄醇类化合物具有与视黄醇相关的理想药理特性，并特别适用于治疗肿瘤，如急性单核细胞白血病、宫颈癌、骨髓瘤、卵巢癌和头颈癌，而不会产生视黄醇的一个或多个不良副作用，如诱导体重减轻、粘膜皮肤毒性、皮肤刺激和致畸性。
• Methods of treatment with compounds having RAR alpha receptor specific or selective activity
  申请人：Allergan Sales, Inc.

  公开号：US20020077360A1

  公开（公告）日：2002-06-20

  Retinoid compounds which act specifically or selectively on RAR &agr; receptor subtypes in preference over RAR &bgr; and RAR &Ggr; receptor subtypes, posses desirable pharmaceutical properties associated with retinoids, and are particularly suitable for treatment of tumors, such as acute monocytic leukemia, cervical carcinoma, myeloma, ovarian carcinomas and head and neck carcinomas, without having one or more undesirable side effects of retinoids, such as inducement of weight loss, mucocutaneous toxicity, skin irritation and teratogenecity.

  作用于RARα亚型的视黄酸类化合物，具有优于RARβ和RARγ亚型的选择性或特异性，具有与视黄酸相关的理想药物特性，特别适用于治疗肿瘤，如急性单核细胞白血病、宫颈癌、骨髓瘤、卵巢癌和头颈癌，而不具有视黄酸的一个或多个不良副作用，如诱导体重减轻、粘膜皮肤毒性、皮肤刺激和致畸性。
• Substituted aryl or heteroarylamides having retinoid-like biological activity
  申请人：Allergan

  公开号：US20020091262A1

  公开（公告）日：2002-07-11

  Compounds of the formula 1 wherein X is CH or N; R 1 is independently H or alkyl of 1 to 6 carbons; m is an integer having the value of 0-5; p is an integer having the value of 0-2; r is an integer having the value 0-2; L is —(C═Z)—NH— or —NH—(C═Z)— where Z is 0 or S; Y is a phenyl or naphthyl group, or heteroaryl selected from a group consisting of pyridyl, thienyl, furyl, pyridazinyl, pyrimidinyl, pyrazinyl, thiazolyl, oxazolyl, imidazolyl and pyrrazolyl, said phenyl, naphthyl and heteroaryl groups being optionally substituted with one or two R 1 groups; W is a substituent selected from the group consisting of F, Br, Cl, I, C 1-6 alkyl, fluoro substituted C 1-6 alkyl, NO 2 , N 3 , OH, OCH 2 OCH 3 , OC 1-10 alkyl, tetrazol, CN, SO 2 C 1-6 -alkyl, SO 2 C 1-6 -alkyl, SO 2 C 1-6 -fluoro substituted alkyl, SO—C 1-6 alkyl, CO—C 1-6 alkyl, COOR 8 , phenyl, phenyl itself substituted with a W group other than with phenyl or substituted phenyl with the proviso that when X is CH and r is 0 then p is not 0 and at least one W group is not alkyl; A is (CH 2 ) q where q is 0-5, lower branched chain alkyl having 3-6 carbons, cycloalkyl having 3-6 carbons, alkenyl having 2-6 carbons and 1 or 2 double bonds, alkynyl having 2-6 carbons and 1 or 2 triple bonds, and B is COOH or a pharmaceutically acceptable salt thereof, COOR 8 , CONR 9 R 10 , —CH 2 OH, CH 2 OR 11 , CH 2 OCOR 11 , CHO, CH(OR 12 ) 2 , CHOR 13 O, —COR 7 , CR 7 (OR 12 ) 2 , CR 7 OR 13 O, where R 7 is an alkyl, cycloalkyl or alkenyl group containing 1 to 5 carbons, R 8 is an alkyl group of 1 to 10 carbons or trimethylsilylalkyl where the alkyl group has 1 to 10 carbons, or a cycloalkyl group of 5 to 10 carbons, or R 8 is phenyl or lower alkylphenyl, R 9 and R 10 independently are hydrogen, an alkyl group of 1 to 10 carbons, or a cycloalkyl group of 5-10 carbons, or phenyl or lower alkylphenyl, R 11 is lower alkyl, phenyl or lower alkylphenyl, R 12 is lower alkyl, and R 13 is divalent alkyl radical of 2-5 carbons, have retinoid-like biological activity.

  化合物的公式为1，其中X为CH或N；R1独立地为1至6个碳的H或烷基；m为0-5的整数；p为0-2的整数；r为0-2的整数；L为—(C═Z)—NH—或—NH—(C═Z)—，其中Z为0或S；Y为苯基或萘基，或从吡啶基，噻吩基，呋喃基，吡嗪基，嘧啶基，吡咯嗪基，噻唑基，噁唑基，咪唑基和吡唑烷基组成的杂环基，所述苯基、萘基和杂环基可以选择性地被一个或两个R1基取代；W是从F，Br，Cl，I，C1-6烷基，氟代C1-6烷基，NO2，N3，OH，OCH2OCH3，OC1-10烷基，四唑，CN，SO2C1-6-烷基，SO2C1-6-烷基，SO2C1-6-氟代烷基，SO—C1-6烷基，CO—C1-6烷基，COOR8，苯基，苯基本身用W基取代而非苯基或取代苯基，但当X为CH且r为0时，则p不为0且至少有一个W基不是烷基；A为(CH2)q，其中q为0-5，较低的支链烷基具有3-6个碳，环烷基具有3-6个碳，具有2-6个碳和1或2个双键的烯基，具有2-6个碳和1或2个三键的炔基，而B为COOH或其药学上可接受的盐，COOR8，CONR9R10，—CH2OH，CH2OR11，CH2OCOR11，CHO，CH(OR12)2，CHOR13O，—COR7，CR7(OR12)2，CR7OR13O，其中R7为含有1至5个碳的烷基，环烷基或烯基，R8为1至10个碳的烷基或三甲基硅烷基，其中烷基具有1至10个碳，或5至10个碳的环烷基，或R8为苯基或较低的烷基苯基，R9和R10独立地为1至10个碳的烷基，5-10个碳的环烷基，苯基或较低的烷基苯基的氢原子，R11为较低的烷基，苯基或较低的烷基苯基，R12为较低的烷基，而R13为2-5个碳的二价烷基基团，具有类视黄醇生物活性。
• Substituted aryl or heteroarylamides having retinoid-like biological
  申请人：Allergan Sales, Inc.

  公开号：US06051713A1

  公开（公告）日：2000-04-18

  Compounds of the formula ##STR1## wherein the symbols have the meaning described in the specification, have retinoid-like biological activity.

  式子为##STR1##的化合物具有类视黄醇的生物活性，其中符号在说明书中有所描述。