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Indoleamine 2,3-Dioxygenase (IDO)
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1-甲基-D-色氨酸CAS号 : 110117-83-4分子式: C12H14N2O2 分子量: 218.25IUPAC Name: (2R)-2-amino-3-(1-methylindol-3-yl)propanoic acidSMILES: CN1C=C(C2=CC=CC=C21)CC(C(=O)O)NInChIKey: ZADWXFSZEAPBJS-SNVBAGLBSA-NInChI: InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m1/s1
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1-甲基-L-色氨酸CAS号 : 21339-55-9分子式: C12H14N2O2 分子量: 218.25IUPAC Name: (2S)-2-amino-3-(1-methylindol-3-yl)propanoic acidSMILES: CN1C=C(C2=CC=CC=C21)CC(C(=O)O)NInChIKey: ZADWXFSZEAPBJS-JTQLQIEISA-NInChI: InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1
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Necrostatin-1,特异性坏死病抑制剂分子式: C13H13N3OS 分子量: 259.33IUPAC Name: 5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-oneSMILES: CN1C(=O)C(NC1=S)CC2=CNC3=CC=CC=C32InChIKey: TXUWMXQFNYDOEZ-UHFFFAOYSA-NInChI: 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)
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919,小分子IDO途径抑制剂CAS号 : 1402836-58-1 Compound CID : 66558287分子式: C18H22N2O 分子量: 282.38IUPAC Name: 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanolSMILES: C1CCC(CC1)C(CC2C3=CC=CC=C3C4=CN=CN24)OInChIKey: YTRRAUACYORZLX-UHFFFAOYSA-NInChI: InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2
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黄藤素分子式: C21H22NO4+ 分子量: 352.4IUPAC Name: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-iumSMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OCInChIKey: QUCQEUCGKKTEBI-UHFFFAOYSA-NInChI: InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1
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黄藤素分子式: C21H22NO4+ 分子量: 352.4IUPAC Name: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-iumSMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OCInChIKey: QUCQEUCGKKTEBI-UHFFFAOYSA-NInChI: InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1
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盐酸黄连碱分子式: C19H14NO4 分子量: 355.77IUPAC Name: 5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaene;chlorideSMILES: C1C[N+]2=C(C=C3C=CC4=C(C3=C2)OCO4)C5=CC6=C(C=C51)OCO6.[Cl-]InChIKey: LUXPUVKJHVUJAV-UHFFFAOYSA-MInChI: InChI=1S/C19H14NO4.ClH/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14;/h1-2,5-8H,3-4,9-10H2;1H/q+1;/p-1
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INCB024360 类似物CAS号 : 914471-09-3 Compound CID : 135424953分子式: C9H7ClFN5O2 分子量: 271.64IUPAC Name: 4-amino-N'-(3-chloro-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamideSMILES: C1=CC(=C(C=C1N=C(C2=NON=C2N)NO)Cl)FInChIKey: HGXSLPIXNPASGZ-UHFFFAOYSA-NInChI: InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
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1-甲基-DL-色氨酸CAS号 : 26988-72-7分子式: C12H14N2O2 分子量: 218.25IUPAC Name: 2-amino-3-(1-methylindol-3-yl)propanoic acidSMILES: CN1C=C(C2=CC=CC=C21)CC(C(=O)O)NInChIKey: ZADWXFSZEAPBJS-UHFFFAOYSA-NInChI: InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)
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PF-06840003,IDO-1 抑制剂CAS号 : 198474-05-4 Compound CID : 23063810分子式: C12H9FN2O2 分子量: 232.21IUPAC Name: 3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dioneSMILES: C1C(C(=O)NC1=O)C2=CNC3=C2C=C(C=C3)FInChIKey: MXKLDYKORJEOPR-UHFFFAOYSA-NInChI: InChI=1S/C12H9FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)
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IDO-IN-1CAS号 : 914638-30-5 Compound CID : 135741412分子式: C9H7BrFN5O2 分子量: 316.087IUPAC Name: 4-amino-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamideSMILES: C1=CC(=C(C=C1N=C(C2=NON=C2N)NO)Br)FInChIKey: ORHZJUSHZUCMKR-UHFFFAOYSA-NInChI: InChI=1S/C9H7BrFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
