表观遗传学 - 按“信号通路”分类 - 小分子和化合物库

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Ro 31-8220 甲磺酸盐
- ≥96%
CAS号: 138489-18-6 Compound CID : 11628205

分子式: C₂₅H₂₃N₅O₂S·CH₄O₃S 分子量: 553.65

IUPAC Name: methanesulfonic acid;3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl carbamimidothioate

SMILES: CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCSC(=N)N.CS(=O)(=O)O

InChIKey: SAWVGDJBSPLRRB-UHFFFAOYSA-N

InChI: 1S/C25H23N5O2S.CH4O3S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20;1-5(2,3)4/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32);1H3,(H,2See more
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陶扎色替
- ≥98%
CAS号: 639089-54-6 Compound CID : 5494449

分子式: C₂₃H₂₈N₈OS 分子量: 464.6

IUPAC Name: N-[4-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide

SMILES: CC1=CC(=NN1)NC2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)C4CC4)N5CCN(CC5)C

InChIKey: GCIKSSRWRFVXBI-UHFFFAOYSA-N

InChI: 1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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6-氯-2,3,4,9-四氢-1H-咔唑-1-甲酰胺
- ≥98%
CAS号: 49843-98-3

分子式: C₁₃H₁₃ClN₂O 分子量: 248.71

IUPAC Name: 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

SMILES: C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N

InChIKey: FUZYTVDVLBBXDL-UHFFFAOYSA-N

InChI: 1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)
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KW-2449,抑制FLT3，ABL和Aurora激酶
- ≥98%
CAS号: 1000669-72-6

分子式: C₂₀H₂₀N₄O 分子量: 332.4

IUPAC Name: [4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-piperazin-1-ylmethanone

SMILES: C1CN(CCN1)C(=O)C2=CC=C(C=C2)C=CC3=NNC4=CC=CC=C43

InChIKey: YYLKKYCXAOBSRM-JXMROGBWSA-N

InChI: 1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+
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AGK2,sirtuin2（SIRT2）抑制剂
- ≥98%
CAS号: 304896-28-4

分子式: C₂₃H₁₃Cl₂N₃O₂ 分子量: 434.27

IUPAC Name: (E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide

SMILES: C1=CC2=C(C=CC=N2)C(=C1)NC(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl)C#N

InChIKey: SVENPFFEMUOOGK-SDNWHVSQSA-N

InChI: 1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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来他替尼
- ≥98%
CAS号: 111358-88-4

分子式: C₂₆H₂₁N₃O₄ 分子量: 439.46

IUPAC Name: (15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one

SMILES: CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O

InChIKey: UIARLYUEJFELEN-LROUJFHJSA-N

InChI: 1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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SirReal 2,SIRT2的抑制剂
- ≥98%
CAS号: 709002-46-0 Compound CID : 1096292

分子式: C₂₂H₂₀N₄OS₂ 分子量: 420.55

IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide

SMILES: CC1=CC(=NC(=N1)SCC(=O)NC2=NC=C(S2)CC3=CC=CC4=CC=CC=C43)C

InChIKey: MENNDDDTIIZDDN-UHFFFAOYSA-N

InChI: 1S/C22H20N4OS2/c1-14-10-15(2)25-22(24-14)28-13-20(27)26-21-23-12-18(29-21)11-17-8-5-7-16-6-3-4-9-19(16)17/h3-10,12H,11,13H2,1-2H3,(H,23,26,27)
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硫肉豆蔻酰
- ≥98%
CAS号: 1429749-41-6 Compound CID : 126843233

分子式: C₃₄H₅₁N₃O₃S 分子量: 581.85

IUPAC Name: benzyl N-[(2S)-1-anilino-1-oxo-6-(tetradecanethioylamino)hexan-2-yl]carbamate

SMILES: CCCCCCCCCCCCCC(=S)NCCCCC(C(=O)NC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChIKey: CJQGLLUJIVNREL-HKBQPEDESA-N

InChI: 1S/C34H51N3O3S/c1-2-3-4-5-6-7-8-9-10-11-18-26-32(41)35-27-20-19-25-31(33(38)36-30-23-16-13-17-24-30)37-34(39)40-28-29-21-14-12-15-22-29/h12-17,21-24,31H,2-11,18-20,25-28H2,1H3,(H,35,41)(H,36,38)(H,37,See more
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AGK2
- 10mM in DMSO
CAS号: 304896-28-4

分子式: C₂₃H₁₃Cl₂N₃O₂ 分子量: 434.27

IUPAC Name: (E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide

SMILES: C1=CC2=C(C=CC=N2)C(=C1)NC(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl)C#N

InChIKey: SVENPFFEMUOOGK-SDNWHVSQSA-N

InChI: 1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
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Ro 31-8220 甲磺酸盐
- 10mM in DMSO
CAS号: 138489-18-6 Compound CID : 11628205

分子式: C₂₅H₂₃N₅O₂S·CH₄O₃S 分子量: 553.65

IUPAC Name: methanesulfonic acid;3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl carbamimidothioate

SMILES: CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCSC(=N)N.CS(=O)(=O)O

InChIKey: SAWVGDJBSPLRRB-UHFFFAOYSA-N

InChI: 1S/C25H23N5O2S.CH4O3S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20;1-5(2,3)4/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32);1H3,(H,2See more
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SirReal 2
- 10mM in DMSO
CAS号: 709002-46-0 Compound CID : 1096292

分子式: C₂₂H₂₀N₄OS₂ 分子量: 420.55

IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide

SMILES: CC1=CC(=NC(=N1)SCC(=O)NC2=NC=C(S2)CC3=CC=CC4=CC=CC=C43)C

InChIKey: MENNDDDTIIZDDN-UHFFFAOYSA-N

InChI: 1S/C22H20N4OS2/c1-14-10-15(2)25-22(24-14)28-13-20(27)26-21-23-12-18(29-21)11-17-8-5-7-16-6-3-4-9-19(16)17/h3-10,12H,11,13H2,1-2H3,(H,23,26,27)
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硫肉豆蔻酰
- 10mM in DMSO
CAS号: 1429749-41-6 Compound CID : 126843233

分子式: C₃₄H₅₁N₃O₃S 分子量: 581.85

IUPAC Name: benzyl N-[(2S)-1-anilino-1-oxo-6-(tetradecanethioylamino)hexan-2-yl]carbamate

SMILES: CCCCCCCCCCCCCC(=S)NCCCCC(C(=O)NC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChIKey: CJQGLLUJIVNREL-HKBQPEDESA-N

InChI: 1S/C34H51N3O3S/c1-2-3-4-5-6-7-8-9-10-11-18-26-32(41)35-27-20-19-25-31(33(38)36-30-23-16-13-17-24-30)37-34(39)40-28-29-21-14-12-15-22-29/h12-17,21-24,31H,2-11,18-20,25-28H2,1H3,(H,35,41)(H,36,38)(H,37,See more
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