Chemical Compound

5-[4-[3-[6-tert-butylsulfonyl-4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]quinazolin-7-yl]oxypropyl]piperazin-1-yl]-N-[(3S,5S)-5-[(2,6-difluorophenyl)carbamoyl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-3-yl]pyrazine-2-carboxamide

CAS Registry Number 2126803-41-4
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5-[4-[3-[6-tert-butylsulfonyl-4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]quinazolin-7-yl]oxypropyl]piperazin-1-yl]-N-[(3S,5S)-5-[(2,6-difluorophenyl)carbamoyl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-3-yl]pyrazine-2-carboxamide 结构式
Primary record

5-[4-[3-[6-tert-butylsulfonyl-4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]quinazolin-7-yl]oxypropyl]piperazin-1-yl]-N-[(3S,5S)-5-[(2,6-difluorophenyl)carbamoyl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-3-yl]pyrazine-2-carboxamide

库存
1,021 克
纯度
99.3 %
CAS
2126803-41-4

化合物标识与属性

CAS
2126803-41-4
PubChem CID
134496515
SMILES
CC1=C(NN=C1NC2=NC=NC3=CC(=C(C=C32)S(=O)(=O)C(C)(C)C)OCCCN4CCN(CC4)C5=NC=C(N=C5)C(=O)N[C@H]6C[C@H](N(C6)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)NC7=C(C=CC=C7F)F)C
Canonical SMILES
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2cnc(N3CCN(CCCOc4cc5ncnc(Nc6n[nH]c(C)c6C)c5cc4S(=O)(=O)C(C)(C)C)CC3)cn2)C[C@H]1C(=O)Nc1c(F)cccc1F)C(C)(C)C

名称与同义词

  • RIP2 Kinase Inhibitor 4
  • orb1691211
  • SCHEMBL20137171
  • GTPL11726
  • compound 20 [PMID: 34432979]
  • AKOS040757313
  • DA-67215
  • HY-136010
  • CS-0119159
  • 2126803-41-4
  • 5-(4-(3-((6-(tert-Butylsulfonyl)-4-((4,5-dimethyl-1H-pyrazol-3-yl)amino)quinazolin-7-yl)oxy)propyl)piperazin-1-yl)-N-((3S,5S)-5-((2,6-difluorophenyl)carbamoyl)-1-((S)-3,3-dimethyl-2-((S)-2-(methylamino)propanamido)butanoyl)pyrrolidin-3-yl)pyrazine-2-carboxamide
  • 5-[4-[3-[6-tert-butylsulfonyl-4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]quinazolin-7-yl]oxypropyl]piperazin-1-yl]-N-[(3S,5S)-5-[(2,6-difluorophenyl)carbamoyl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-3-yl]pyrazine-2-carboxamide