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维甲酰酚胺 | 65646-68-6

维甲酰酚胺
Fenretinide
65646-68-6
C26H33NO2
391.5457
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:维甲酰酚胺结构式
24278472
维甲酰酚胺价格
简介
Fenretinide (4-HPR) 是一种合成的类维生素A衍生物,能够结合视黄酸受体 (RAR) 诱导细胞死亡。
名称和标识符
MDL MFCD00792674
InChIKey AKJHMTWEGVYYSE-FXILSDISSA-N
Inchi 1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+
SMILES O=C(/C(/[H])=C(\C([H])([H])[H])/C(/[H])=C(\[H])/C(/[H])=C(\C([H])([H])[H])/C(/[H])=C(\[H])/C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])N([H])C1C([H])=C([H])C(=C([H])C=1[H])O[H]
别名信息
- 中文别名 -
  • 维甲酰酚胺
  • 全反式-N-(4-羟苯基)维甲酸
  • all-trans-N-(4-Hydroxyphenyl)retinamide 全反式-N-(4-羟苯基)维甲酸
  • 芬维A胺
  • 芬维A胺-D4
  • 酚维A胺
  • 维甲酸对羟基苯胺
- 英文别名 -
  • Fenretinide
  • N-(4-Hydroxyphenyl)retinamide
  • Retinoic acid p-hydroxyanilide
  • all-trans-N-(4-Hydroxyphenyl)retinamide
  • 4-HYDROXYPHENYLRETINAMIDE
  • Retinamide,N-(4-hydroxyphenyl)-
  • (4-Hydroxyphenyl)retinamide
  • 4-HPR
  • Fenretinide(4-HPR)
  • 4-Hydroxyphenyl retinamide
  • all-trans-4'-Hydroxyretinanilide
  • Fenretinidum
  • Fenretinida
  • 4-hydroxy(phenyl)retinamide
  • N-(4-Hydroxyphenyl)all-Trans Retinamide
  • Fenretinidum [Latin]
  • Fenretinida [Spanish]
  • 4HPR
  • Retinoic acid p-hydroxyphenylamide
  • Fenretinide [USAN:INN]
  • Retinamide, N-(4-hydroxyphenyl)-
  • 4-(hydroxyphenyl)retinamide
  • 15-[(4-hydroxyphenyl)amino]retinal
  • CC
  • (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-
  • (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-
  • HSCI1_000112
  • HSCI1_000112
  • DB05076
  • DB05076
  • 65646-68-6
  • UNII-187EJ7QEXL
  • 65646-68-6
  • SYT-101
  • UNII-187EJ7QEXL
  • SCHEMBL15703189
  • SYT-101
  • SMR000677938
  • SCHEMBL15703189
  • SMR000677938
  • Fenretinide
  • 4-HPR
  • Fenretinide
  • 4-HPR
  • HMS3261N12
  • SCHEMBL11703
  • HMS3261N12
  • 1-enyl)nona-2,4,6,8-tetraenamide
  • SCHEMBL11703
  • MFCD00792674
  • 1-enyl)nona-2,4,6,8-tetraenamide
  • MFCD00792674
  • AB00172992-07
  • AB00172992-07
  • SDCCGSBI-0050606.P002
  • SDCCGSBI-0050606.P002
  • Retinoic acid p-hydroxyanilide, >=95%
  • BML2-E08
  • Retinoic acid p-hydroxyanilide, >=95%
  • BML2-E08
  • BP-13369
  • Fenretinide (4-HPR)
  • BP-13369
  • Fenretinide (4-HPR)
  • NCGC00261310-01
  • SR-01000075917-4
  • NCGC00261310-01
  • NSC760419
  • SR-01000075917-4
  • LP00625
  • NSC760419
  • FENRETINIDE [WHO-DD]
  • LP00625
  • NCGC00090752-01
  • FENRETINIDE [WHO-DD]
  • NCGC00258542-01
  • NCGC00090752-01
  • CS-0789
  • NCGC00258542-01
  • BDBM50092055
  • CS-0789
  • AS-59667
  • BDBM50092055
  • HMS1791G21
  • AS-59667
  • CAS-65646-68-6
  • HMS1791G21
  • Tox21_200989
  • CAS-65646-68-6
  • CALIX[4!-BIS-CROWN-6,95
  • Tox21_200989
  • SMR001456303
  • CALIX[4!-BIS-CROWN-6,95
  • Q5443576
  • SMR001456303
  • FENRETINIDE
  • Q5443576
  • Pharmakon1600-01505602
  • FENRETINIDE
  • MLS002701698
  • Pharmakon1600-01505602
  • CHEBI:92493
  • MLS002701698
  • DTXCID0012005
  • CHEBI:92493
  • H 7779
  • DTXCID0012005
  • FENRETINIDE [MART.]
  • H 7779
  • (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenamide
  • FENRETINIDE [MART.]
  • HMS3412M06
  • (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenamide
  • BCP06908
  • HMS3412M06
  • CHEMBL7301
  • BCP06908
  • D04162
  • CHEMBL7301
  • (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,4,6,8-tetraenoic acid (4-hydroxy-phenyl)-amide
  • D04162
  • FENRETINIDE [INN]
  • (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,4,6,8-tetraenoic acid (4-hydroxy-phenyl)-amide
  • H1464
  • FENRETINIDE [INN]
  • FENRETINIDE [USAN]
  • H1464
  • BSPBio_001419
  • FENRETINIDE [USAN]
  • NCGC00090752-09
  • BSPBio_001419
  • SR-01000075917
  • NCGC00090752-09
  • Tox21_111007_1
  • SR-01000075917
  • Tox21_111007_1
  • N-(4-hydroxyphenyl)-retinamide
  • 15-(4-Hydroxyanilino)retinal #
  • N-(4-hydroxyphenyl)-retinamide
  • 15-(4-Hydroxyanilino)retinal #
  • (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
  • Fenretinide
  • (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
  • Fenretinide
  • p-Hydroxyphenylretinamide
  • p-Hydroxyphenylretinamide
  • FENRETINIDE [VANDF]
  • FENRETINIDE [VANDF]
  • CCRIS 3260
  • CCRIS 3260
  • HMS3402G21
  • HMS3402G21
  • Spectrum5_001939
  • Spectrum5_001939
  • A835178
  • A835178
  • s5233
  • s5233
  • BRN 5769490
  • BRN 5769490
  • CHEBI:42588
  • CHEBI:42588
  • FENRETINIDE [MI]
  • FENRETINIDE [MI]
  • NCGC00090752-06
  • NCGC00090752-06
  • AMY9087
  • AMY9087
  • NCGC00090752-20
  • NCGC00090752-20
  • 4-hydroxyphenylretinamide
  • 4-hydroxyphenylretinamide
  • EX-A4102
  • EX-A4102
  • EU-0100625
  • EU-0100625
  • MLS001055399
  • MLS001055399
  • Rii retinamide
  • Rii retinamide
  • Tox21_500625
  • Tox21_500625
  • dimethyl-9-(2,6,6-trimethylcyclohex-
  • dimethyl-9-(2,6,6-trimethylcyclohex-
  • NCGC00090752-12
  • NCGC00090752-12
  • NCGC00090752-04
  • NCGC00090752-04
  • (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
  • (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
  • NSC-374551
  • NSC-374551
  • NSC374551
  • NSC374551
  • N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide
  • N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide
  • Fenretinide (USAN/INN)
  • Fenretinide (USAN/INN)
  • HMS3676M06
  • HMS3676M06
  • MLS006010811
  • MLS006010811
  • NS00069470
  • NS00069470
  • HMS1361G21
  • HMS1361G21
  • 187EJ7QEXL
  • 187EJ7QEXL
  • N-(4-hydroxyphenyl)retinamide, 4-HPR
  • N-(4-hydroxyphenyl)retinamide, 4-HPR
  • ST-602
  • ST-602
  • N-(4-HYDROXYPHENYL)-ALL-TRANS-VITAMIN A AMIDE
  • N-(4-HYDROXYPHENYL)-ALL-TRANS-VITAMIN A AMIDE
  • 3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,4,6,8-tetraenoic acid (4-hydroxy-phenyl)-amide
  • 3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,4,6,8-tetraenoic acid (4-hydroxy-phenyl)-amide
  • NCGC00090752-07
  • NCGC00090752-07
  • DTXSID2032005
  • DTXSID2032005
  • NCGC00090752-11
  • NCGC00090752-11
  • (2E,4E,6E,8E)-N-(4-Hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide
  • (2E,4E,6E,8E)-N-(4-Hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide
  • McN-R-1967
  • McN-R-1967
  • NSC 760419
  • NCGC00090752-10
  • NSC 760419
  • HMS2089B17
  • NCGC00090752-10
  • (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenamide
  • HMS2089B17
  • NCGC00090752-05
  • (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenamide
  • Lopac0_000625
  • IDI1_033889
  • NCGC00090752-05
  • Lopac0_000625
  • SCHEMBL11704
  • all-trans-n-(4-hydroxyphenyl)retinamide
  • IDI1_033889
  • CCG-204713
  • SCHEMBL11704
  • NCGC00090752-02
  • all-trans-n-(4-hydroxyphenyl)retinamide
  • AKOS024456572
  • CCG-204713
  • HY-15373
  • NCGC00090752-02
  • MK-4016
  • AKOS024456572
  • SR-01000075917-1
  • HY-15373
  • 2,6,8-Nonatetraenamide, N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl-, (all-E)-
  • MK-4016
  • NSC-760419
  • SR-01000075917-1
  • Tox21_111007
  • 2,6,8-Nonatetraenamide, N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl-, (all-E)-
  • HMS1989G21
  • NSC-760419
  • NCGC00090752-03
  • Tox21_111007
  • HMS1989G21
  • NCGC00090752-03
物化性质
实验特性
LogP 6.93530
PSA 49.33000
Merck 3998
沸点 597.6±42.0°C at 760 mmHg
熔点 170.0 to 174.0 deg-C
闪点 315.2±27.9 °C
溶解度 Soluble in DMSO (25 mg/ml), ethanol (25 mg/ml)), chloroform, and acetone (easily soluble).
颜色与性状 固体。
稳定性 Light Sensitive - Protect from Light Exposure
溶解性 未确定。
敏感性 对热和空气敏感
最大波长(λmax) 362(MeOH)(lit.)
计算特性
精确分子量 391.25100
氢键供体数量 2
氢键受体数量 2
可旋转化学键数量 6
同位素质量 391.251129295g/mol
重原子数量 29
复杂度 726
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 4
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 7.3
互变异构体数量 4
表面电荷 0
拓扑分子极性表面积 49.3
国际标准相关数据
EINECS 24278472
专业数据库参考
PubChemId 24278472
参考资料
Reaxys RN 5769490
Beilstein MFCD00792674
化合物详情(旧版)

SMILES

C/C(/C=C/C=C(\C)/C=C/C1C(C)(C)CCCC=1C)=C\C(=O)NC2=CC=C(O)C=C2

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