按“信号通路”分类 - 小分子和化合物库

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腺嘌呤核苷
- ≥99%
- BC
CAS号: 58-61-7 EC号: 200-389-9

分子式: C₁₀H₁₃N₅O₄ 分子量: 267.24

IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N

InChIKey: OIRDTQYFTABQOQ-KQYNXXCUSA-N

InChI: 1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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腺嘌呤核苷
- ≥99.5%
CAS号: 58-61-7 EC号: 200-389-9

分子式: C₁₀H₁₃N₅O₄ 分子量: 267.24

IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N

InChIKey: OIRDTQYFTABQOQ-KQYNXXCUSA-N

InChI: 1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
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瑞德南特(Preladenant)
- ≥98%
CAS号: 377727-87-2

分子式: C₂₅H₂₉N₉O₃ 分子量: 503.56

IUPAC Name: 4-(furan-2-yl)-10-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

SMILES: COCCOC1=CC=C(C=C1)N2CCN(CC2)CCN3C4=C(C=N3)C5=NC(=NN5C(=N4)N)C6=CC=CO6

InChIKey: DTYWJKSSUANMHD-UHFFFAOYSA-N

InChI: 1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)
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帕比司他
- ≥98%
CAS号: 404950-80-7

分子式: C₂₁H₂₃N₃O₂ 分子量: 349.44

IUPAC Name: (E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide

SMILES: CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)C=CC(=O)NO

InChIKey: FPOHNWQLNRZRFC-ZHACJKMWSA-N

InChI: 1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
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PCI-24781(Abexinostat),广谱组蛋白去酰基化酶（HDAC）抑制剂
- ≥97%
CAS号: 783355-60-2

分子式: C₂₁H₂₃N₃O₅ 分子量: 397.42

IUPAC Name: 3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide

SMILES: CN(C)CC1=C(OC2=CC=CC=C21)C(=O)NCCOC3=CC=C(C=C3)C(=O)NO

InChIKey: MAUCONCHVWBMHK-UHFFFAOYSA-N

InChI: 1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)
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Pracinostat (SB939),HDAC抑制剂
- ≥98%
CAS号: 929016-96-6

分子式: C₂₀H₃₀N₄O₂ 分子量: 358.48

IUPAC Name: (E)-3-[2-butyl-1-[2-(diethylamino)ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide

SMILES: CCCCC1=NC2=C(N1CCN(CC)CC)C=CC(=C2)C=CC(=O)NO

InChIKey: JHDKZFFAIZKUCU-ZRDIBKRKSA-N

InChI: 1S/C20H30N4O2/c1-4-7-8-19-21-17-15-16(10-12-20(25)22-26)9-11-18(17)24(19)14-13-23(5-2)6-3/h9-12,15,26H,4-8,13-14H2,1-3H3,(H,22,25)/b12-10+
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Romidepsin,HDAC1和HDAC2抑制剂
- ≥98%
CAS号: 128517-07-7 Compound CID : 5352062

分子式: C₂₄H₃₆N₄O₆S₂ 分子量: 540.7

IUPAC Name: (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone

SMILES: CC=C1C(=O)NC(C(=O)OC2CC(=O)NC(C(=O)NC(CSSCCC=C2)C(=O)N1)C(C)C)C(C)C

InChIKey: OHRURASPPZQGQM-GCCNXGTGSA-N

InChI: 1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9See more
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Scriptaid,HDAC抑制剂
- ≥99%
CAS号: 287383-59-9 Compound CID : 5186

分子式: C₁₈H₁₈N₂O₄ 分子量: 326.35

IUPAC Name: 6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide

SMILES: C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCCCC(=O)NO

InChIKey: JTDYUFSDZATMKU-UHFFFAOYSA-N

InChI: 1S/C18H18N2O4/c21-15(19-24)10-2-1-3-11-20-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(20)23/h4-9,24H,1-3,10-11H2,(H,19,21)
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他喹莫德
- ≥98%
CAS号: 254964-60-8 Compound CID : 54682876

分子式: C₂₀H₁₇F₃N₂O₄ 分子量: 406.36

IUPAC Name: 4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide

SMILES: CN1C2=C(C(=CC=C2)OC)C(=C(C1=O)C(=O)N(C)C3=CC=C(C=C3)C(F)(F)F)O

InChIKey: ONDYALNGTUAJDX-UHFFFAOYSA-N

InChI: 1S/C20H17F3N2O4/c1-24(12-9-7-11(8-10-12)20(21,22)23)18(27)16-17(26)15-13(25(2)19(16)28)5-4-6-14(15)29-3/h4-10,26H,1-3H3
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Tozadenant,受体拮抗剂
- ≥98%
CAS号: 870070-55-6 Compound CID : 11618368

分子式: C₁₉H₂₆N₄O₄S 分子量: 406.50

IUPAC Name: 4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxamide

SMILES: CC1(CCN(CC1)C(=O)NC2=NC3=C(C=CC(=C3S2)N4CCOCC4)OC)O

InChIKey: XNBRWUQWSKXMPW-UHFFFAOYSA-N

InChI: 1S/C19H26N4O4S/c1-19(25)5-7-23(8-6-19)18(24)21-17-20-15-14(26-2)4-3-13(16(15)28-17)22-9-11-27-12-10-22/h3-4,25H,5-12H2,1-2H3,(H,20,21,24)
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曲古柳菌素A(TSA)
- ≥98%
CAS号: 58880-19-6 Compound CID : 444732

分子式: C₁₇H₂₂N₂O₃ 分子量: 302.37

IUPAC Name: (2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide

SMILES: CC(C=C(C)C=CC(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C

InChIKey: RTKIYFITIVXBLE-QEQCGCAPSA-N

InChI: 1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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N-羟基-N'-苯基辛二酰胺
- ≥99%
CAS号: 149647-78-9 Compound CID : 5311

分子式: C₁₄H₂₀N₂O₃ 分子量: 264.32

IUPAC Name: N'-hydroxy-N-phenyloctanediamide

SMILES: C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO

InChIKey: WAEXFXRVDQXREF-UHFFFAOYSA-N

InChI: 1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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