2-[2-[4-(3,4-ジクロロフェニル)チアゾール-2-イル]ヒドラゾノ]-3-(2-ニトロフェニル)プロパン酸

2-[[4-(3,4-Dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-(2-nitrophenyl)propanoic acid

HCID 2831024

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 315706-13-9
標準SMILES: O=C(O)C(Cc1ccccc1[N+](=O)[O-])=NNc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIKey: KFRKRECSIYXARE-UHFFFAOYSA-N
分子式: C18H12Cl2N4O4S
平均分子量: 451.3 g/mol
単同位体質量: 449.99563122

名称と識別子

優先名称: 2-[[4-(3,4-Dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-(2-nitrophenyl)propanoic acid
IUPAC: 2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-(2-nitrophenyl)propanoic acid
現地名: 2-[2-[4-(3,4-ジクロロフェニル)チアゾール-2-イル]ヒドラゾノ]-3-(2-ニトロフェニル)プロパン酸
英語名: 4EGI-1
分子式: C18H12Cl2N4O4S
分子量: 451.28

名称と別名

315706-13-9CHEMBL4848695CBDivE_015548eIF4E/eIF4G Interaction Inhibitor2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-(2-nitrophenyl)propanoic acidSCHEMBL3334293DTXSID70849589KFRKRECSIYXARE-UHFFFAOYSA-NHMS3740G112-((4-(3,4-dichlorophenyl)thiazol-2(3H)-ylidene)hydrazono)-3-(2-nitrophenyl)propanoic acidBDBM50570883s7369

名称をさらに表示

2-{2-[4-(3,4-ジクロロフェニル)-1,3-チアゾール-2-イル]ヒドラジン-1-イリデン}-3-(2-ニトロフェニル)プロパン酸2-[2-[4-(3,4-ジクロロフェニル)チアゾール-2-イル]ヒドラゾノ]-3-(2-ニトロフェニル)プロパン酸4EGI-1CS-1896CS-14084EGI-1/4EGI14EGI-1, >=98%4EGI-1, 10 mM in DMSOeIF4E/eIF4G Interaction Inhibitor, 4EGI-12-(2-(4-(3,4-Dichlorophenyl)thiazol-2-yl)hydrazono)-3-(2-nitrophenyl)propanoic acid4EGI1,Autophagy,inhibit,Eukaryotic Initiation Factor (eIF),Inhibitor,4EGI-1,Apoptosisα-[2-[4-(3,4-Dichlorophenyl)-2-thiazolyl]hydrazinylidene]-2-nitro-benzenepropanoic acid

AKOS0267505892-{[4-(3,4-Dichloro-phenyl)-thiazol-2-yl]-hydrazono}-3-(2-nitro-phenyl)-propionic acidDA-39474PD0561542-{2-[4-(3,4-Dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid

データベース識別子

CAS: 315706-13-9
PubChem CID: 2831024
DTXSID: DTXSID70849589
ChEMBL: CHEMBL4848695

物性

構造計算による物性

XLogP: 6.1
極性表面積: 149 Å²
水素結合供与体数: 2
水素結合受容体数: 8
回転可能結合数: 6
重原子数: 29
形式電荷: 0
複雑度: 635

物理化学的性質

沸点: 668.9 · 668.9±65.0 °C(Predicted)
比重(密度): 1.58 · 1.58±0.1 g/cm3(Predicted)
貯蔵温度: -20 °C · Store at -20°C
溶解性: 22.56 mg/mL · ≥22.56 mg/mL in DMSO
外見: 茶色の固体。
酸解離定数(Pka): 0.89 · 0.89±0.41(Predicted)
色: Light yellow to khaki
InChI: 1S/C18H12Cl2N4O4S/c19-12-6-5-10(7-13(12)20)15-9-29-18(21-15)23-22-14(17(25)26)8-11-3-1-2-4-16(11)24(27)28/h1-7,9H,8H2,(H,21,23)(H,25,26)/b22-14+
InChIKey: KFRKRECSIYXARE-HYARGMPZSA-N

安全と法規制

安全データ

wgk: WGK 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

説明In eukaryotes, a set of initiation factors (eIFs) interact with ribosomal subunits to initiate mRNA translation. A major step in initiation is the assembly of a large multiprotein complex that includes the cap-binding protein eIF4E and the multidomain adaptor protein eIF4G. 4EGI-1 is an inhibitor of the initiation of translation that blocks the interaction of eIF4G with eIF4E (KD = 25 μM). It directly binds eIF4E, competitively inhibiting an association with eIF4G that is necessary for cap-dependent translation. 4EGI-1 prevents the expression of oncogenic proteins in mammalian cancer cells, leading to apoptosis. Research with this inhibitor supports a role for normal eIF4E/eIF4G interaction in memory consolidation and excess interaction in autism spectrum disorders. 4EGI-1 also blocks translation in some viruses that do not require eIF4E or a cap structure for initiation.

使用eIF4E/eIF4G Interaction Inhibitor, 4EGI-1 is amplifies TRAIL-induced apoptosis via down-regulation of FLIPS/Land induction of DR5.

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