((4S,5R)-2-(4-(Tert-Butyl)-2-Ethoxyphenyl)-4,5-Bis(4-Chlorophenyl)-4,5-Dimethyl-4,5-Dihydro-1H-Imidazol-1-Yl)(4-(3-(Methylsulfonyl)Propyl)Piperazin-1-Yl)Methanone ((4S,5R)-2-(4-(叔丁基)-2-乙氧基苯基)-4,5-双(4-氯苯基)-4,5-二甲基-4,5-二氢-1H-咪唑-1-基)(4-(3-(甲基磺酰基)丙基)哌嗪-1-基)甲酮
CAS 939981-39-2 MFCD039981392
化学结构图
SMILES: CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCCS(C)(=O)=O)CC1
化学属性
| Mol. Weight | 727.78 |
|---|---|
| Appearance | White to off-white solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name Translation | ((4S,5R)-2-(4-(叔丁基)-2-乙氧基苯基)-4,5-双(4-氯苯基)-4,5-二甲基-4,5-二氢-1H-咪唑-1-基)(4-(3-(甲基磺酰基)丙基)哌嗪-1-基)甲酮 |
|---|---|
| Chemical Name | ((4S,5R)-2-(4-(Tert-Butyl)-2-Ethoxyphenyl)-4,5-Bis(4-Chlorophenyl)-4,5-Dimethyl-4,5-Dihydro-1H-Imidazol-1-Yl)(4-(3-(Methylsulfonyl)Propyl)Piperazin-1-Yl)Methanone |
| Formula | C38H48Cl2N4O4S |
| Synonym | R7112 RG7112 RG 7112; RG7112; RO5045337; RO 5045337; RO5045337 |
| IUPAC Name | ((4S,5R)-2-(4-(tert-butyl)-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazol-1-yl)(4-(3-(methylsulfonyl)propyl)piperazin-1-yl)methanone |
| InChIKey | QBGKPEROWUKSBK-QPPIDDCLSA-N |
| InChI | InChI=1S/C38H48Cl2N4O4S/c1-8-48-33-26-29(36(2,3)4)14-19-32(33)34-41-37(5,27-10-15-30(39)16-11-27)38(6,28-12-17-31(40)18-13-28)44(34)35(45)43-23-21-42(22-24-43)20-9-25-49(7,46)47/h10-19,26H,8-9,20-25H2,1-7H3/t37-,38+/m0/s1 |
| Canonical SMILES | O=C(N1[C@](C)(C2=CC=C(Cl)C=C2)[C@](C)(C3=CC=C(Cl)C=C3)N=C1C4=CC=C(C(C)(C)C)C=C4OCC)N5CCN(CCCS(=O)(C)=O)CC5 |
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产品应用
- RO5045337, also known as RG7112, is a MDM2 antagonist with potential antineoplastic activity. RO5045337 binds to MDM2, thereby preventing the binding of the MDM2 protein to the transcriptional activation domain of the tumor suppressor protein p53. By preventing this MDM2-p53 interaction, the proteosome-mediated enzymatic degradation of p53 is inhibited and the transcriptional activity of p53 is restored, which may result in the restoration of p53 signaling and thus the p53-mediated induction of tumor cell apoptosis. MDM2, a zinc finger protein, is a negative regulator of the p53 pathway; often overexpressed in cancer cells, it has been implicated in cancer cell proliferation and survival.
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