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Necrostatin-1 抑制剂 | 4311-88-0

Necrostatin-1 抑制剂
Necrostatin-1
4311-88-0
C13H13N3OS
259.3268
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:Necrostatin-1 抑制剂结构式
24724559
简介
Necrostatin-1 (Nec-1) 是一种有效的能透过血脑屏障的坏死性凋亡 (necroptosis) 抑制剂,在 Jurkat 细胞中的 EC50 为 490 nM。Necrostatin-1 抑制 RIP1 激酶 (EC50=182 nM) 。Necrostatin-1 (Nec-1) 也是一种 (IDO) 抑制剂。
名称和标识符
MDL MFCD00056916
InChIKey TXUWMXQFNYDOEZ-UHFFFAOYSA-N
Inchi 1S/C13H13N3OS/c1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6H2,1H3,(H,15,18)
SMILES S=C1N(C([H])([H])[H])C(C([H])(C([H])([H])C2=C([H])N([H])C3=C([H])C([H])=C([H])C([H])=C23)N1[H])=O
别名信息
- 中文别名 -
  • 5-(1H-吲哚-3-基甲基)-3-甲基-2-硫酮-4-咪唑烷酮
  • Mth-DL-色氨酸
  • Necrostatin-1 抑制剂
  • 5-[(1H-吲哚-3-基)甲基]-3-甲基-2-硫代咪唑啉-4-酮
- 英文别名 -
  • 4-Imidazolidinone,5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-
  • Necrostatin-1
  • 5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one
  • MTH-DL-TRYPTOPHAN
  • Necrostatin 1
  • 5-indol-3-ylmethyl-3-methyl-2-thioxo-imidazolidin-4-one
  • methyl-thiohydantoin-tryptophan
  • MTH-trp
  • Nec-1
  • Necroptotic Inhibitor,Nec-1
  • 5-(1H-Indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidazolidinone
  • 5-(Indol-3-ylmethyl)-3-methyl-2-thio-Hydantoin
  • 5-[(1H-Indol-3-yl)methyl]-3-methyl-2-thioxoimidazolidin-4-one
  • Necroptotic Inhibitor, Nec-1
  • 5-((1H-indol-3-yl)methyl)-3-methyl-2-thioxoimidazolidin-4-one
  • AK326153
  • 4-imidazolidinone, 5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-
  • Methylthiohydantoin-DL-tryptophan
  • MTH-DL-tryptoph
  • Methylthiohydantoin-DL-tryptophan
  • MTH-DL-tryptophan
  • 5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylidene-4-imidazolidinone
  • MTH-DL-Tryptophan
  • 5-(1H-Indol-3-ylmethyl)-3-methyl-2-thioxo-4-imidazolidinone
  • Oprea1_645908
  • s8037
  • AB00073999-01
  • EX-A2108
  • GTPL9750
  • NECROSTATIN
  • AKOS023092523
  • HMS3677G04
  • HMS3653J04
  • NCGC00092372-15
  • SW219795-1
  • 4-Imidazolidinone, 5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo- (9CI)
  • NCGC00092372-01
  • 5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidazolidinone, Nec-1
  • BDBM36371
  • 5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidazolidinone
  • HMS3229H21
  • AKOS001662677
  • CS-1666
  • AC-32084
  • Necrostatin-1 inactive control
  • BCP06760
  • HMS3673K15
  • BRD-A36318220-001-01-3
  • Q27163481
  • methylthiohydantoin-DL-tryptophan
  • CHEMBL195008
  • CID2828334
  • NCGC00092372-03
  • HY-15760
  • C13H13N3OS
  • CCG-265032
  • HMS3268N04
  • NCGC00092372-02
  • SCHEMBL856922
  • MLS006011643
  • MFCD00056916
  • 5-(indol-3-ylmethyl)-3-methyl-2-thio-Hydantoin
  • CHEBI:91658
  • 5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-imidazolidin-4-one
  • Necrostatin 1
  • Necrostatin-1, >=98% (HPLC)
  • SMR001375661
  • N1174
  • 4311-88-0
  • A826160
  • Hydantoin, 5-(indol-3-ylmethyl)-3-methyl-2-thio- (7CI,8CI)
  • DTXSID40385186
  • AKOS016050497
  • HMS3413G04
  • FT-0635218
  • AS-10165
  • CBDivE_006695
物化性质
实验特性
LogP 1.69220
PSA 80.22000
折射率 1.737
沸点 441.9°C at 760 mmHg
熔点 160.0 to 164.0 deg-C
闪点 93.3℃
溶解度 Very 微溶 (0.11 g/L) (25 ºC),
敏感性 Light Sensitive
密度 1.40±0.1 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 259.07800
氢键供体数量 2
氢键受体数量 2
可旋转化学键数量 2
同位素质量 259.078
重原子数量 18
复杂度 373
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 1
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 1.9
拓扑分子极性表面积 80.2
国际标准相关数据
EINECS 24724559
海关数据
海关编码 2933990090
海关数据

中国海关编码:

2933990090

概述:

2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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专业数据库参考
PubChemId 24724559
参考资料
Reaxys RN 620233
Beilstein MFCD00056916
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