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4-[(5,6,7,8-四氢-5,5,8,8-四甲基-2-萘基)甲酰氨基]苯甲酸 | 102121-60-8

4-[(5,6,7,8-四氢-5,5,8,8-四甲基-2-萘基)甲酰氨基]苯甲酸
AM580
102121-60-8
C22H25NO3
351.4388
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:4-[(5,6,7,8-四氢-5,5,8,8-四甲基-2-萘基)甲酰氨基]苯甲酸结构式
24891374
简介
AM580 (CD336) (GMP) 是 GMP 级别的 AM580 (HY-10475)。GMP 级别的小分子可用做细胞疗法中的辅助试剂。AM580 是一种选择性的 RARα 激动剂。
名称和标识符
MDL MFCD00673916
InChIKey SZWKGOZKRMMLAJ-UHFFFAOYSA-N
Inchi 1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)
SMILES O=C(C1C([H])=C([H])C2=C(C=1[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])N([H])C1C([H])=C([H])C(C(=O)O[H])=C([H])C=1[H]
BRN 3565084
别名信息
- 中文别名 -
  • 4-[(5,6,7,8-四氢-5,5,8,8-四甲基-2-萘基)甲酰氨基]苯甲酸
  • 4-(5,5,8,8-四甲基-5,6,7,8-四氢化萘-2-甲酰氨基)苯甲酸
- 英文别名 -
  • 4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamido)benzoic acid
  • 4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid
  • 4-[[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl]amino]Benzoic acid
  • AM 580
  • Benzoic acid,4-[[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl]amino]-
  • CD437
  • Am-580
  • CD 336
  • NSC608001
  • 4-[(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carboxamido]benzoic acid
  • ro40-6055
  • AM580 (CD336)
  • 4-(1,1,4,4-Tetramethyltetralin-6-ylcarbonylamino)benzoic acid
  • 4-((5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl)aminobenz
  • benzoicacid,4-((5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbony
  • 2-Naphthalenecarboxamide,5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-N-3-quinolinyl-
  • CD336
  • NSC 608001
  • Ro 40-6055
  • l)amino-
  • AM580
  • 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid
  • VZ5S5G9ZFZ
  • 4-((5,6
  • 4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamido)benzoic Acid
  • Am 580
  • cd336
  • HMS3411H13
  • HMS3411H13
  • BRD-K06854232-001-02-5
  • BRD-K06854232-001-02-5
  • KBioSS_000247
  • KBioSS_000247
  • HY-10475
  • HY-10475
  • Bio1_001114
  • Bio1_001114
  • Benzoic acid, 4((5',5',8',8'-tetramethyl-5',6',7', 8'-tetrahydro-2'- naphthyl)amino)-:
  • Benzoic acid, 4((5',5',8',8'-tetramethyl-5',6',7', 8'-tetrahydro-2'- naphthyl)amino)-:
  • BCP9000281
  • BCP9000281
  • BDBM50052414
  • BDBM50052414
  • Tox21_300780
  • Tox21_300780
  • Q27088586
  • Q27088586
  • 4-(((5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)amino)benzoic acid
  • 4-(((5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl)amino)benzoic acid
  • Ro406055
  • Ro406055
  • NCGC00024774-06
  • NCGC00024774-06
  • NCGC00254684-01
  • NCGC00254684-01
  • CAS-102121-60-8
  • CAS-102121-60-8
  • FT-0738259
  • FT-0738259
  • HMS1989M09
  • HMS1989M09
  • Benzoic acid, 4-[[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl]amino]-
  • Benzoic acid, 4-[[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl]amino]-
  • KBio2_002815
  • NCGC00024774-01
  • KBio2_002815
  • s2933
  • NCGC00024774-01
  • NCGC00024774-03
  • s2933
  • GTPL2647
  • NCGC00024774-03
  • UNII-VZ5S5G9ZFZ
  • GTPL2647
  • HMS3402M09
  • UNII-VZ5S5G9ZFZ
  • KBio3_000494
  • HMS3402M09
  • AKOS024458635
  • KBio3_000494
  • NCGC00024774-07
  • AKOS024458635
  • EX-A843
  • NCGC00024774-07
  • Bio2_000727
  • EX-A843
  • CHEBI:64210
  • Bio2_000727
  • BCP0726000221
  • CHEBI:64210
  • AM-580
  • BCP0726000221
  • IDI1_033997
  • AM-580
  • 4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamido)benzoic acid
  • IDI1_033997
  • 4-[(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-amino]-benzoic acid
  • 4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-carboxamido)benzoic acid
  • DTXSID5040758
  • 4-[(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)-amino]-benzoic acid
  • NSC-608001
  • DTXSID5040758
  • HMS3266B10
  • NSC-608001
  • Spectrum5_001941
  • HMS3266B10
  • SR-01000597463-3
  • Spectrum5_001941
  • CBiol_001850
  • SR-01000597463-3
  • Bio2_000247
  • CBiol_001850
  • BSPBio_001527
  • Bio2_000247
  • SR-01000597463
  • KBio3_000493
  • BSPBio_001527
  • 102121-60-8
  • SR-01000597463
  • Bio1_000136
  • KBio3_000493
  • HMS1361M09
  • 102121-60-8
  • Tocris-0760
  • Bio1_000136
  • CS-0622773
  • BCPP000411
  • HMS1361M09
  • BRN 3565084
  • Tocris-0760
  • HMS3675H13
  • CS-0622773
  • AM580, >=98% (HPLC)
  • BCPP000411
  • MFCD00673916
  • BRN 3565084
  • DTXCID3020758
  • HMS3675H13
  • 4-[(1,1,4,4-tetramethyltetralin-6-carbonyl)amino]benzoic acid
  • AM580, >=98% (HPLC)
  • KBio2_005383
  • MFCD00673916
  • Ro-40-6055
  • DTXCID3020758
  • NCGC00024774-02
  • 4-[(1,1,4,4-tetramethyltetralin-6-carbonyl)amino]benzoic acid
  • CHEMBL69367
  • KBio2_005383
  • Benzoic acid, 4-((5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl)amino-
  • Ro-40-6055
  • Benzoic acid, 4-[[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl]amino]-?
  • NCGC00024774-02
  • NCI60_004717
  • 4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene-7-carboxamido)benzoic acid
  • CHEMBL69367
  • J-000631
  • Benzoic acid, 4-((5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl)amino-
  • BCP03051
  • Benzoic acid, 4-[[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl]amino]-?
  • AM580 (GMP)
  • AC-35324
  • NCI60_004717
  • EQN
  • 4-(1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene-7-carboxamido)benzoic acid
  • SZWKGOZKRMMLAJ-UHFFFAOYSA-N
  • J-000631
  • SCHEMBL726740
  • BCP03051
  • 4-(5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalene-2-carboxamido)benzoic acid
  • AM580 (GMP)
  • BML2-E09
  • AC-35324
  • 4-[(5,5,8,8-tetramethyl6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid
  • EQN
  • KBio2_000247
  • SZWKGOZKRMMLAJ-UHFFFAOYSA-N
  • AS-16835
  • SCHEMBL726740
  • CS-3251
  • 4-(5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalene-2-carboxamido)benzoic acid
  • 4-((5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carboxamido)benzoic acid
  • HY-10475G
  • BML2-E09
  • NCGC00024774-05
  • 4-[(5,5,8,8-tetramethyl6,7-dihydronaphthalene-2-carbonyl)amino]benzoic acid
  • SR-01000597463-1
  • KBio2_000247
  • Benzoic acid,5',8',8'-tetramethyl-5',6',7',8'-tetrahydro-2'- naphthyl)amino)-:
  • AS-16835
  • Bio1_000625
  • CS-3251
  • KBioGR_000247
  • 4-((5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carboxamido)benzoic acid
  • CD-336
  • HY-10475G
  • 4-((5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl)aminobenzoic acid
  • NCGC00024774-05
  • HMS1791M09
  • SR-01000597463-1
  • NCGC00024774-04
  • Benzoic acid,5',8',8'-tetramethyl-5',6',7',8'-tetrahydro-2'- naphthyl)amino)-:
  • Bio1_000625
  • KBioGR_000247
  • CD-336
  • 4-((5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl)aminobenzoic acid
  • HMS1791M09
  • NCGC00024774-04
物化性质
实验特性
LogP 5.05910
PSA 66.40000
折射率 1.5614 (estimate)
沸点 461°C at 760 mmHg
熔点 265-267 ºC
溶解度 Soluble in DMSO (20mg/ml) or ethanol (10mg/ml).
最大波长(λmax) 283(EtOH(95vol%))(lit.)
密度 1.154
计算特性
精确分子量 351.18300
氢键供体数量 2
氢键受体数量 3
可旋转化学键数量 3
同位素质量 351.18344366g/mol
重原子数量 26
复杂度 546
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 0
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) 5.4
互变异构体数量 4
表面电荷 0
拓扑分子极性表面积 66.4
专业数据库参考
PubChemId 24891374
参考资料
Reaxys RN 3565084
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