表观遗传学 - 按“信号通路”分类 - 小分子和化合物库

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MK-4827( 尼拉帕尼)
- ≥98%
CAS号: 1038915-60-4

分子式: C₁₉H₂₀N₄O 分子量: 320.39

IUPAC Name: 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide

SMILES: C1CC(CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N

InChIKey: PCHKPVIQAHNQLW-CQSZACIVSA-N

InChI: 1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1
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奥拉帕尼 (AZD2281, Ku-0059436)
- ≥98%
CAS号: 763113-22-0 EC号: 642-941-5

分子式: C₂₄H₂₃FN₄O₃ 分子量: 434.46

IUPAC Name: 4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one

SMILES: C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F

InChIKey: FDLYAMZZIXQODN-UHFFFAOYSA-N

InChI: 1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)
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PJ34,PARPl/2 抑制剂
- ≥98%
CAS号: 344458-19-1

分子式: C₁₇H₁₇N₃O₂ 分子量: 295.34

IUPAC Name: 2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide

SMILES: CN(C)CC(=O)NC1=CC2=C(C=C1)NC(=O)C3=CC=CC=C32

InChIKey: UYJZZVDLGDDTCL-UHFFFAOYSA-N

InChI: 1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
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SB1317
- ≥98%
CAS号: 937270-47-8 Compound CID : 16739650

分子式: C₂₃H₂₄N₄O 分子量: 372.46

IUPAC Name: (16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene

SMILES: CN1CC=CCCOC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C1

InChIKey: VXBAJLGYBMTJCY-NSCUHMNNSA-N

InChI: 1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+
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3,5,7,8-四氢-2-[4-(三氟甲基)苯基]-4H-硫代吡喃并[4,3-d]嘧啶-4-酮
- ≥98%
CAS号: 284028-89-3 Compound CID : 135418940

分子式: C₁₄H₁₁F₃N₂OS 分子量: 312.31

IUPAC Name: 2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one

SMILES: C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F

InChIKey: KLGQSVMIPOVQAX-UHFFFAOYSA-N

InChI: 1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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6-(5H)-菲啶酮
- ≥98%(HPLC)
CAS号: 1015-89-0 EC号: 213-804-3

分子式: C₁₃H₉NO 分子量: 195.22

IUPAC Name: 5H-phenanthridin-6-one

SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3NC2=O

InChIKey: RZFVLEJOHSLEFR-UHFFFAOYSA-N

InChI: 1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)
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JNJ-7706621,泛CDK抑制剂
- ≥98%
CAS号: 443797-96-4

分子式: C₁₅H₁₂F₂N₆O₃S 分子量: 394.36

IUPAC Name: 4-[[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide

SMILES: C1=CC(=C(C(=C1)F)C(=O)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)N)F

InChIKey: KDKUVYLMPJIGKA-UHFFFAOYSA-N

InChI: 1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
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NU 6140,Cdk2抑制剂
- ≥98%
CAS号: 444723-13-1

分子式: C₂₃H₃₀N₆O₂ 分子量: 422.52

IUPAC Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N,N-diethylbenzamide

SMILES: CCN(CC)C(=O)C1=CC=C(C=C1)NC2=NC3=C(C(=N2)OCC4CCCCC4)NC=N3

InChIKey: XHEQSRJCJTWWAH-UHFFFAOYSA-N

InChI: 1S/C23H30N6O2/c1-3-29(4-2)22(30)17-10-12-18(13-11-17)26-23-27-20-19(24-15-25-20)21(28-23)31-14-16-8-6-5-7-9-16/h10-13,15-16H,3-9,14H2,1-2H3,(H2,24,25,26,27,28)
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Go 6976,PKC抑制剂
- ≥98%
CAS号: 136194-77-9

分子式: C₂₄H₁₈N₄O 分子量: 378.43

IUPAC Name: 3-(23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)propanenitrile

SMILES: CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)CCC#N)CNC4=O

InChIKey: VWVYILCFSYNJHF-UHFFFAOYSA-N

InChI: 1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)
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AZ 6102,TNKS1 / 2抑制剂
- ≥98%(HPLC)
CAS号: 1645286-75-4 Compound CID : 135905416

分子式: C₂₅H₂₈N₆O 分子量: 428.53

IUPAC Name: 2-[4-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl]phenyl]-7-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one

SMILES: CC1CN(CC(N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4

InChIKey: WCPTUQOMNJBIET-CALCHBBNSA-N

InChI: 1S/C25H28N6O/c1-15-11-22(31-13-16(2)27-17(3)14-31)26-12-21(15)18-5-7-19(8-6-18)23-28-24-20(25(32)29-23)9-10-30(24)4/h5-12,16-17,27H,13-14H2,1-4H3,(H,28,29,32)/t16-,17+
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AZ9482
- ≥98%
CAS号: 1825345-33-2

分子式: C₂₆H₂₂N₆O₂ 分子量: 450.5

IUPAC Name: 2-[4-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile

SMILES: C1CN(CCN1C2=C(C=CC=N2)C#N)C(=O)C3=CC=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54

InChIKey: ZDDPBFWHZOJFHF-UHFFFAOYSA-N

InChI: 1S/C26H22N6O2/c27-17-20-7-4-10-28-24(20)31-11-13-32(14-12-31)26(34)19-6-3-5-18(15-19)16-23-21-8-1-2-9-22(21)25(33)30-29-23/h1-10,15H,11-14,16H2,(H,30,33)
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瑞卡帕布
- ≥98%
CAS号: 283173-50-2

分子式: C₁₉H₁₈FN₃O 分子量: 323.36

IUPAC Name: 6-fluoro-2-[4-(methylaminomethyl)phenyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one

SMILES: CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2

InChIKey: HMABYWSNWIZPAG-UHFFFAOYSA-N

InChI: 1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)
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