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TSU-68 (SU6668, Orantinib) 抑制剂 | 252916-29-3

TSU-68 (SU6668, Orantinib) 抑制剂
Orantinib
252916-29-3
C18H18N2O3
310.34712
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:TSU-68 (SU6668, Orantinib) 抑制剂结构式
5329099
简介
Orantinib (SU6668; TSU-68) 是多靶点的受体酪氨酸激酶抑制剂,对Flt-1,PDGFRβ 和FGFR1 的 Ki 值分别为 2.1 μM,8 nM 和 1.2 μM。
名称和标识符
MDL MFCD03426212
InChIKey NHFDRBXTEDBWCZ-UHFFFAOYSA-N
Inchi InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)
SMILES CC1=C(/C=C2C3=CC=CC=C3NC/2=O)NC(C)=C1CCC(O)=O
别名信息
- 中文别名 -
  • 2-甲基-6-[(3-甲氧基苯基)乙烯基]吡啶
  • 5-[(1,2-二氢-2-氧代-3H-吲哚-3-基)甲基]-2,4-二甲基-1H-吡咯-3-丙酸
  • 5-[(1,2-二氢-2-氧代-3H-吲哚-3-亚基)甲基]-2,4-二甲基-1H-吡咯-3-丙酸
  • TSU-68 (SU6668, Orantinib) 抑制剂
- 英文别名 -
  • 3-(2,4-Dimethyl-5-((2-oxoindolin-3-ylidene)methyl)-1H-pyrrol-3-yl)propanoic acid
  • TSU-68 (SU6668, Orantinib)
  • (E)-3-(2,4-Dimethyl-5-((2-oxoindolin-3-ylidene)methyl)-1H-pyrrol-3-yl)propanoic acid
  • 1H-Pyrrole-3-propanoicacid, 5-[(1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-
  • 3-{2,4-dimethyl-5-[(2-oxo(1H-benzo[d]azolidin-3-ylidene))-methyl]pyrrol-3-yl}propanoic acid
  • 5-[(1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-Pyrrole-3-propanoic acid
  • orantinib
  • SU 6668
  • TSU-68
  • TSU-68 (SU6668)
  • TSU68
  • SU-6668
  • 5-[1,2-Dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-propanoic acid
  • Orantinib
  • 210644-62-5
  • J-502593
  • SCHEMBL134661
  • HMS3677J06
  • 252916-29-3
  • NSC 702827
  • EX-A471
  • 3-(2,4-DIMETHYL-5-(((3Z)-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL)-1H-PYRROL-3-YL)PROPANOIC ACID
  • (Z)-3-(2,4-dimethyl-5-((2-oxoindolin-3-ylidene)methyl)-1H-pyrrol-3-yl)propanoic acid
  • 3-[2,4-dimethyl-5-[(Z)-(2-oxoindolin-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid
  • NSC-763929
  • NS00069381
  • SW219790-1
  • Orantinib (SU6668)
  • CCG-267578
  • ORANTINIB [WHO-DD]
  • UNII-9RL37ZZ665
  • Orantinib
  • SU-6668
  • SU006668
  • NSC-800809
  • 3-(2,4-Dimethyl-5-(2-oxo-1,2-dihydroindol-3-ylidenemethyl)-1H-pyrrol-3-yl)propionic acid
  • SMR004702878
  • 1044712-39-1
  • AKOS024457561
  • TSU 68
  • DTXSID101017164
  • 245036-27-5
  • 2,4-Dimethyl-5-[(1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-pyrrole-3-propanoic acid
  • 3-(2,4-dimethyl-5-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrol-3-yl)propanoic acid
  • BDBM4811
  • Orantinib (TSU-68)
  • 3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid
  • TSU-68 (Random Configuration)
  • BRD-K55966568-001-01-3
  • Pdgfr tyrosine kinase inhibitor vi,su6668
  • 3-{2,4-Dimethyl-5-[(Z)-(2-Oxo-1,2-Dihydro-3h-Indol-3-Ylidene)methyl]-1h-Pyrrol-3-Yl}propanoic Acid
  • PDGFR Tyrosine Kinase Inhibitor VI, SU6668 - CAS 210644-62-5
  • NSC763929
  • (Z)-3-(2,4-Dimethyl-5-((2-oxoindolin-3-ylidene)-methyl)-1H-pyrrol-3-yl)propanoic acid
  • 1H-Pyrrole-3-propanoic acid, 5-((Z)-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-
  • SU6668
  • MFCD09743433
  • Orantinibum
  • 5-((1,2-Dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-propanoic acid
  • Orantinib (TSU-68, SU6668)
  • MLS006011090
  • 3-[2, 4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid
  • NCGC00387029-01
  • AC-25028
  • CS-0197
  • 5-((Z)-1,2-Dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-propanoic acid
  • PDGFR Tyrosine Kinase Inhibitor VI, SU6668
  • HY-10517
  • HMS3413J06
  • s1470
  • (z)-3-[2,4-dimethyl-5-(2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-1h-pyrrol-3-yl]-propionic acid
  • NSC-702827
  • 3-(2,4-Dimethyl-5-((2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl)-1H-pyrrol-3-yl)propionic acid
  • NSC800809
  • J-013813
  • 1H-Pyrrole-3-propanoic acid, 5-[(Z)-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-
  • CHEMBL274654
  • DB12072
  • 3-(4-(2-Carboxyethyl)-3,5-dimethylpyrrol-2-methylidenyl)-2-indolinone
  • 1H-Pyrrole-3-propanoic acid, 5-((1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-
  • TUS-68
  • BCPP000059
  • 3-(2,4-dimethyl-5-{[(3Z)-2-oxo-1H-indol-3-ylidene]methyl}-1H-pyrrol-3-yl)propanoic acid
  • GTPL7816
  • Q27088210
  • A879274
  • NSC702827
  • 9RL37ZZ665
  • AS-16238
  • BT162331
  • Orantinib [INN]
物化性质
实验特性
LogP 3.27940
PSA 82.19000
折射率 1.68
沸点 590.5°C at 760 mmHg
熔点 239.35° C
闪点 310.9°C
密度 1.3300
计算特性
精确分子量 310.13200
氢键供体数量 3
氢键受体数量 5
可旋转化学键数量 4
同位素质量 310.132
重原子数量 23
复杂度 516
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 1
共价键单元数量 1
疏水参数计算参考值(XlogP) 2.2
拓扑分子极性表面积 82.2A^2
专业数据库参考
PubChemId 5329099
化合物详情(旧版)

SMILES

OC(=O)CCC1C(C)=C(NC=1C)/C=C2C3C(=CC=CC=3)NC\2=O

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