表观遗传学 - 按“信号通路”分类 - 小分子和化合物库

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星形孢菌素
- ≥98%
CAS号: 62996-74-1 Compound CID : 44259

分子式: C₂₈H₂₆N₄O₃ 分子量: 466.53

IUPAC Name: (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one

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

InChIKey: HKSZLNNOFSGOKW-FYTWVXJKSA-N

InChI: 1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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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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吡贝地尔
- ≥98%(HPLC)
CAS号: 3605-01-4 Compound CID : 4850

分子式: C₁₆H₁₈N₄O₂ 分子量: 298.35

IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine

SMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4

InChIKey: OQDPVLVUJFGPGQ-UHFFFAOYSA-N

InChI: 1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2
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斯普利特麻一辛
- ≥97%(HPLC)
CAS号: 5690-03-9 Compound CID : 5269

分子式: C₁₃H₁₀O₂ 分子量: 198.22

IUPAC Name: 1,2-dihydrobenzo[f]chromen-3-one

SMILES: C1CC(=O)OC2=C1C3=CC=CC=C3C=C2

InChIKey: ISFPDBUKMJDAJH-UHFFFAOYSA-N

InChI: 1S/C13H10O2/c14-13-8-6-11-10-4-2-1-3-9(10)5-7-12(11)15-13/h1-5,7H,6,8H2
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SC-9,Ca 2+依赖性PKC激活剂
CAS号: 102649-78-5 Compound CID : 124172

分子式: C₂₂H₂₄ClNO₂S 分子量: 401.95

IUPAC Name: 5-chloro-N-(6-phenylhexyl)naphthalene-1-sulfonamide

SMILES: C1=CC=C(C=C1)CCCCCCNS(=O)(=O)C2=CC=CC3=C2C=CC=C3Cl

InChIKey: YUXMTDYHFPRPLG-UHFFFAOYSA-N

InChI: 1S/C22H24ClNO2S/c23-21-15-8-14-20-19(21)13-9-16-22(20)27(25,26)24-17-7-2-1-4-10-18-11-5-3-6-12-18/h3,5-6,8-9,11-16,24H,1-2,4,7,10,17H2

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Cambinol,SIRT1 / 2抑制剂
- ≥98%
CAS号: 14513-15-6

分子式: C₂₁H₁₆N₂O₂S 分子量: 360.43

IUPAC Name: 5-[(2-hydroxynaphthalen-1-yl)methyl]-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one

SMILES: C1=CC=C(C=C1)C2=C(C(=O)NC(=S)N2)CC3=C(C=CC4=CC=CC=C43)O

InChIKey: RVNSQVIUFZVNAU-UHFFFAOYSA-N

InChI: 1S/C21H16N2O2S/c24-18-11-10-13-6-4-5-9-15(13)16(18)12-17-19(14-7-2-1-3-8-14)22-21(26)23-20(17)25/h1-11,24H,12H2,(H2,22,23,25,26)
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SC-10,细胞可渗透Ca 2+依赖性PKC激活剂
CAS号: 102649-79-6 Compound CID : 5175

分子式: C₁₇H₂₂ClNO₂S 分子量: 339.88

IUPAC Name: 5-chloro-N-heptylnaphthalene-1-sulfonamide

SMILES: CCCCCCCNS(=O)(=O)C1=CC=CC2=C1C=CC=C2Cl

InChIKey: MJMJERJFCHYXEM-UHFFFAOYSA-N

InChI: 1S/C17H22ClNO2S/c1-2-3-4-5-6-13-19-22(20,21)17-12-8-9-14-15(17)10-7-11-16(14)18/h7-12,19H,2-6,13H2,1H3

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CCT241736
CAS号: 1402709-93-6

分子式: C₂₂H₂₃Cl₂N₇ 分子量: 456.4

IUPAC Name: 6-chloro-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridine

SMILES: CC1=NN(C=C1C2=NC3=NC=C(C(=C3N2)N4CCN(CC4)CC5=CC=C(C=C5)Cl)Cl)C

InChIKey: AKJBLKUZXRMECW-UHFFFAOYSA-N

InChI: 1S/C22H23Cl2N7/c1-14-17(13-29(2)28-14)21-26-19-20(18(24)11-25-22(19)27-21)31-9-7-30(8-10-31)12-15-3-5-16(23)6-4-15/h3-6,11,13H,7-10,12H2,1-2H3,(H,25,26,27)

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GSK1070916
- ≥98%
CAS号: 942918-07-2

分子式: C₃₀H₃₃N₇O 分子量: 507.63

IUPAC Name: 3-[4-[4-[2-[3-[(dimethylamino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1-ethylpyrazol-3-yl]phenyl]-1,1-dimethylurea

SMILES: CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC=CC(=C5)CN(C)C

InChIKey: QTBWCSQGBMPECM-UHFFFAOYSA-N

InChI: 1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)
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Cambinol
- 10mM in DMSO
CAS号: 14513-15-6

分子式: C₂₁H₁₆N₂O₂S 分子量: 360.43

IUPAC Name: 5-[(2-hydroxynaphthalen-1-yl)methyl]-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one

SMILES: C1=CC=C(C=C1)C2=C(C(=O)NC(=S)N2)CC3=C(C=CC4=CC=CC=C43)O

InChIKey: RVNSQVIUFZVNAU-UHFFFAOYSA-N

InChI: 1S/C21H16N2O2S/c24-18-11-10-13-6-4-5-9-15(13)16(18)12-17-19(14-7-2-1-3-8-14)22-21(26)23-20(17)25/h1-11,24H,12H2,(H2,22,23,25,26)
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吡贝地尔
- 10mM in DMSO
CAS号: 3605-01-4 Compound CID : 4850

分子式: C₁₆H₁₈N₄O₂ 分子量: 298.35

IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine

SMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4

InChIKey: OQDPVLVUJFGPGQ-UHFFFAOYSA-N

InChI: 1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2
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斯普利特麻一辛
- 10mM in DMSO
CAS号: 5690-03-9 Compound CID : 5269

分子式: C₁₃H₁₀O₂ 分子量: 198.22

IUPAC Name: 1,2-dihydrobenzo[f]chromen-3-one

SMILES: C1CC(=O)OC2=C1C3=CC=CC=C3C=C2

InChIKey: ISFPDBUKMJDAJH-UHFFFAOYSA-N

InChI: 1S/C13H10O2/c14-13-8-6-11-10-4-2-1-3-9(10)5-7-12(11)15-13/h1-5,7H,6,8H2
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