2,2,4,4-Tetramethyl-chroman-6-carboxylic Acid | 135963-47-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 2,2,4,4-Tetramethyl-chroman-6-carboxylic Acid
• 英文别名: 2,2,4,4-tetramethylchroman-6-carboxilic acid；2,2,4,4-tetramethyl-6-carboxychroman；2,2,4,4tetramethyl-6-chromanoic acid；2,2,4,4-tetramethylchroman-6-carboxylic acid；2,2,4,4-Tetramethyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid；2,2,4,4-tetramethyl-3H-chromene-6-carboxylic acid
• CAS: 135963-47-2
• 化学式: C₁₄H₁₈O₃
• 分子量: 234.295
• InChiKey: JXKBUOWTZSPVGC-UHFFFAOYSA-N

物化性质

• 沸点：
  354.6±41.0 °C(Predicted)
• 密度：
  1.081±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,2,4,4-Tetramethyl-chroman-6-carboxylic Acid 在 溴 作用下， 以 水 、 溶剂黄146 为溶剂， 生成 8-bromo-2,2,4,4-tetramethyl-6-chromanoic acid
  参考文献：
  名称：

  Methods of treatment with compounds having RAR.sub..alpha. receptor

  摘要：

  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。

  公开号：

  US05965606A1
• 作为产物：
  描述：

  6-Bromo-2,2,4,4-tetramethyl-chroman 、 二氧化碳 在 叔丁基锂 作用下， 以 四氢呋喃 、 正戊烷 为溶剂， 反应 0.17h， 以92%的产率得到2,2,4,4-Tetramethyl-chroman-6-carboxylic Acid
  参考文献：
  名称：

  Compounds having activity as inhibitors of cytochrome P450RAI

  摘要：

  具有通式1的化合物，其中符号的含义在说明书中定义，是细胞色素P450RAI（视黄酸诱导型）酶的抑制剂，并用于治疗对视黄酸治疗有反应的疾病。

  公开号：

  US06359135B1

文献信息

• Methods of providing and using compounds having activity as inhibitors of cytochrome P450RAI
  申请人：Allergan Sales, Inc.

  公开号：US06313107B1

  公开（公告）日：2001-11-06

  Novel compounds having the Formulas 1 through 8, wherein the symbols have the meaning defined in the specification, and certain previously known compounds have been discovered to act as inhibitors of the cytochrome P450RAI (retinoic acid inducible) enzyme, and are used for treating diseases responsive to treatment by retinoids. The compound can also be used in co-treatment with retinoids.

  具有1至8号式的新化合物，其中符号的含义在说明书中有定义，并且已发现某些先前已知的化合物可作为细胞色素P450RAI（诱导性维生素A酸）酶的抑制剂，并用于治疗对维生素A酸治疗产生响应的疾病。该化合物还可与维生素A酸一起进行联合治疗。
• Aryl or heteroaryl amides of tetrahydronaphthalene, chroman, thichroman and 1,2,3,4-tetrahydroquinolinecarboxlic acids, having an electron withdrawing substituent in the aromatic or heteroaromatic moiety, having retinoid-like biological activity
  申请人：Allergan Sales, Inc.

  公开号：US06342602B1

  公开（公告）日：2002-01-29

  Compounds of the formula wherein the symbols have the meaning defined in the specification have retinoid-like biological activity.

  该式化合物具有类视黄醇生物活性，其中符号的含义在规范中定义。
• Disubstituted aryl and heteroaryl imines having retinoid-like biological
  申请人：——

  公开号：US05498755A1

  公开（公告）日：1996-03-12

  Compounds of the formula ##STR1## wherein the R.sub.1 groups independently are hydrogen, lower alkyl, or two geminal R.sub.1 groups jointly represent an oxo (.dbd.O) or a thio (.dbd.S) group; R.sub.2 is hydrogen or lower alkyl, or halogen; M is or --N.dbd.CR.sub.4 -- or --R.sub.4 C.dbd.N-- where R.sub.4 is hydrogen or lower alkyl; X is C(R.sub.1).sub.2 ; Y is phenyl optionally substituted with an R.sub.3 group which is lower alkyl or halogen; A is (CH.sub.2).sub.n where n is 0-5, lower branched chain alkyl, cycloalkyl, alkenyl, alkynyl; B is hydrogen, COOH or a pharmaceutically acceptable salt thereof, COOR.sub.8, CONR.sub.9 R.sub.10, --CH.sub.2 OH, CH.sub.2OR.sub.11, CH.sub.2 OCOR.sub.11, CHO, CH(OR.sub.12).sub.2, CHOR.sub.13 O, --COR.sub.7, CR.sub.7 (OR.sub.12).sub.2, or CR.sub.7 OR.sub.13 O, where R.sub.7 is an alkyl, cycloalkyl or alkenyl group containing 1 to 5 carbons, R.sub.8 is an alkyl group of 1 to 10 carbons, or a cycloalkyl group of 5 to 10 carbons, or R.sub.8 is phenyl or lower alkylphenyl, R.sub.9 and R.sub.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.sub.11 is lower alkyl, phenyl or lower alkylphenyl, R.sub.12 is lower alkyl, and R.sub.13 is divalent alkyl radical of 2-5 carbons have retinoid-like biological activity.

  式为##STR1##的化合物，其中R.sub.1基团独立地是氢、较低烷基，或两个相邻的R.sub.1基团共同表示一个氧(.dbd.O)或硫(.dbd.S)基团；R.sub.2是氢或较低烷基，或卤素；M是或--N.dbd.CR.sub.4--或--R.sub.4C.dbd.N--其中R.sub.4是氢或较低烷基；X是C(R.sub.1).sub.2；Y是苯基，可选地取代一个R.sub.3基团，该基团是较低烷基或卤素；A是(CH.sub.2).sub.n，其中n为0-5，较低支链烷基，环烷基，烯基，炔基；B是氢，COOH或其药用可接受盐，COOR.sub.8，CONR.sub.9R.sub.10，--CH.sub.2OH，CH.sub.2OR.sub.11，CH.sub.2OCOR.sub.11，CHO，CH(OR.sub.12).sub.2，CHOR.sub.13O，--COR.sub.7，CR.sub.7(OR.sub.12).sub.2，或CR.sub.7OR.sub.13O，其中R.sub.7是含有1至5个碳的烷基，环烷基或烯基基团，R.sub.8是1至10个碳的烷基基团，或5至10个碳的环烷基，或R.sub.8是苯基或较低烷基苯基，R.sub.9和R.sub.10独立地是氢，1至10个碳的烷基基团，或5-10个碳的环烷基，或苯基或较低烷基苯基，R.sub.11是较低烷基，苯基或较低烷基苯基，R.sub.12是较低烷基，R.sub.13是2-5个碳的双价烷基基团具有类似视黄醇的生物活性。
• Aryl or heteroaryl amides of tetrahydronaphthalene, chroman, thiochroman
  申请人：Allergan

  公开号：US05675024A1

  公开（公告）日：1997-10-07

  Compounds of the formula ##STR1## where the symbols have the meaning defined in the specification have retinoid-like biological activity.

  式##STR1##中的化合物具有类似于视黄醇的生物活性，其中符号的含义在说明书中定义。
• Chroman esters of phenols and benzoic acids having retinoid-like activity
  申请人：Allergan, Inc.

  公开号：US05006550A1

  公开（公告）日：1991-04-09

  Retinoid like activity is exhibited by compounds of the formula ##STR1## wherein the R.sub.1 -R.sub.7 groups are independently H or straight chain or branched chain lower alkyl or cycloalkyl of 1 to 6 carbons; X symbolizes an ester or thioester linkage, Y is cycloalkyl or branched chain alkyl of 1 to 6 carbons or is (CH.sub.2) where n is an integer between 0 to 6 or is an alkenyl group of 2 to 6 carbons, or an alkynyl group of 2 to 6 carbons; and Z is H, OH, OR', OCOR', --COOH or a pharmaceutically acceptable salt, ester or amide thereof, --CH.sub.2 OH or an ether or ester derivative, or --CHO or an acetal derivative, or --COR' or a ketal derivative where R' is an alkyl, cycloalkyl or alkenyl group containing 1 to 6 carbons, or a phenylalkyl, phenyl or substituted phenyl group.

  化合物的式子为 ##STR1## 其中 R.sub.1 -R.sub.7 基团独立地为 H 或直链或支链低碳数烷基或环烷基；X 代表酯或硫酯键，Y 为1至6个碳的支链烷基或环烷基或为(CH.sub.2)，其中n为0至6的整数，或为2至6个碳的烯基基团或2至6个碳的炔基基团；Z 为H、OH、OR'、OCOR'、--COOH 或其药学上可接受的盐、酯或酰胺、--CH.sub.2 OH 或其醚或酯衍生物、--CHO 或其缩醛衍生物、--COR' 或其缩酮衍生物，其中R'是含1至6个碳的烷基、环烷基或烯基基团或苯基烷基、苯基或取代苯基。