(2S,3S)-2-{(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl}-3-phenyl-N-(4-propionyl-1,3-thiazol-2-yl)butanamide
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基本情報
- CAS
876755-27-0- 標準SMILES
CCC(=O)c1csc(NC(=O)[C@H]([C@@H](C)c2ccccc2)N2C(=O)N[C@H](c3ccc(OCCO)cc3)C2=O)n1- InChIKey
RKKBPPTYPGTSEA-FNVCAUGXSA-N- 分子式
- C27H28N4O6S
- 平均分子量
- 536.6 g/mol
- 単同位体質量
- 536.1729558
概要
RO4927350 is a carboxamide resulting from the formal condensation of the primary amino group of 4-propanoyl-1,3-thiazol-2-amine with the carboxy group of a 3-phenylbutiyric acid which has been substituted at position 2 by a (4R)-4-[p-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl group. It is a potent, highly selective inhibitormitogen-activated protein kinase 1/2 inhibitor. It has a role as an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a secondary carboxamide, an imidazolidine-2,4-dione, a member of 1,3-thiazoles and an aromatic ketone.
名称と識別子
- 優先名称
- (2S,3S)-2-{(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl}-3-phenyl-N-(4-propionyl-1,3-thiazol-2-yl)butanamide
- IUPAC
- (2S,3S)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenyl-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide
- 英語名
- RO4927350
- 分子式
- C27H28N4O6S
- 分子量
- 536.59942
名称と別名
876755-27-0RO4927350Ro 4927350(2S,3S)-2-[(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenyl-N-(4-propanoyl-1,3-thiazol-2-yl)butanamide(2S,3S)-2-{(4R)-4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl}-3-phenyl-N-(4-propionyl-1,3-thiazol-2-yl)butanamideRKKBPPTYPGTSEA-FNVCAUGXSA-Norb1741021SCHEMBL1204725CHEMBL2396994CHEBI:132984DTXSID001103205(2s,3s)-2-((r)-4-(4-(2-hydroxyethoxy)phenyl)-2,5-dioxo-imidazolidin-1-yl)-3-phenyl-n-(4-propionylthiazol-2-yl)butyramide
名称をさらに表示
(2S,3S)-2-[(4R)-4-[4-(2-Hydroxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl]-3-phenyl-N-(4-propionylthiazol-2-yl)butanamide1-Imidazolidineacetamide, 4-[4-(2-hydroxyethoxy)phenyl]-2,5-dioxo-N-[4-(1-oxopropyl)-2-thiazolyl]-α-[(1S)-1-phenylethyl]-, (αS,4R)-
(2S,3S)-2-((R)-4-(4-(2-hydroxyethoxy)phenyl)-2,5-dioxoimidazolidin-1-yl)-3-phenyl-N-(4-propionylthiazol-2-yl)butanamide(2S,3S)-2-((R)-4-(4-(2-hydroxyethoxy)phenyl)-2,5-dioxoimidazolidin-1-yl)-3-phenyl-N-(4-propionylthiazol-2-yl)butanamide.DB-344627CS-0003190RO-4927350T68459(|AS,4R)-4-[4-(2-Hydroxyethoxy)phenyl]-2,5-dioxo-N-[4-(1-oxopropyl)-2-thiazolyl]-|A-[(1S)-1-phenylethyl]-1-imidazolidineacetamide(2s,3s)-2-{(r)-4-[4-(2-hydroxy-ethoxy)-phenyl]-2,5-dioxo-imidazolidin-1-yl}-3-phenyl-n-(4-propionyl-thiazol-2-yl)-butyramide
物性
構造計算による物性補完中
- XLogP
- 3.2
- 極性表面積
- 166 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 8
- 回転可能結合数
- 11
- 重原子数
- 38
- 形式電荷
- 0
- 複雑度
- 861
物理化学的性質
- 比重(密度)
- 1.366 · 1.366±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 7.32 · 7.32±0.70(Predicted)
化学と産業
補足説明
定義ChEBI: A carboxamide resulting from the formal condensation of the primary amino group of 4-propanoyl-1,3-thiazol-2-amine with the carboxy group of a 3-phenylbutiyric acid which has been substituted at position 2 by a (4R)-4-[p-(2-hy roxyethoxy)phenyl]-2,5-dioxoimidazolidin-1-yl group. It is a potent, highly selective inhibitormitogen-activated protein kinase 1/2 inhibitor.
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