激动剂、拮抗剂和抑制剂-生物科学-阿拉丁aladdin

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JNK-IN-7
- ≥98%
CAS号 : 1408064-71-0 Compound CID : 57340685

分子式: C₂₈H₂₇N₇O₂ 分子量: 493.56

IUPAC Name: 3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

SMILES: CN(C)CC=CC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CN=CC=C4

InChIKey: RADRIIWGHYFWPP-WEVVVXLNSA-N

InChI: InChI=1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-16,18-19H,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)/b9-5+
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硝苯地平
- 10mM in DMSO
CAS号 : 21829-25-4(DMSO)

分子式: C₁₇H₁₈N₂O₆ 分子量: 346.33

SMILES: COC(=O)C1=C(C)NC(=C(C1C2=C(C=CC=C2)[N+]([O-])=O)C(=O)OC)C
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苏尼替尼
- 10mM in DMSO
CAS号 : 557795-19-4(DMSO)

分子式: C₂₂H₂₇FN₄O₂ 分子量: 398.47

SMILES: CCN(CC)CCNC(=O)C1=C(C)[NH]C(=C1C)/C=C/2C(=O)NC3=C2C=C(F)C=C3
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贝扎替尼(TSR-011)
- 10mM in DMSO
CAS号 : 1357920-84-3 Compound CID : 57345941

分子式: C₃₃H₄₄FN₅O₃ 分子量: 577.73

IUPAC Name: 4-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide

SMILES: CC(C)NC(=O)C1CCC(CC1)N2C3=C(C=CC(=C3)CN4CCC(CC4)C(C)(C)O)N=C2NC(=O)C5=CC=C(C=C5)F

InChIKey: WSTUJEXAPHIEIM-UHFFFAOYSA-N

InChI: InChI=1S/C33H44FN5O3/c1-21(2)35-30(40)24-8-12-27(13-9-24)39-29-19-22(20-38-17-15-25(16-18-38)33(3,4)42)5-14-28(29)36-32(39)37-31(41)23-6-10-26(34)11-7-23/h5-7,10-11,14,19,21,24-25,27,42H,8-9,12-13,15-18,20H2,1-4H3,(H,35,40)(H,36,37,41)
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IRAK1 / 4抑制剂I
- 10mM in DMSO
CAS号 : 509093-47-4 Compound CID : 11983295

分子式: C₂₀H₂₁N₅O₄ 分子量: 395.41

IUPAC Name: N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-3-nitrobenzamide

SMILES: C1COCCN1CCN2C3=CC=CC=C3N=C2NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChIKey: QTCFYQHZJIIHBS-UHFFFAOYSA-N

InChI: InChI=1S/C20H21N5O4/c26-19(15-4-3-5-16(14-15)25(27)28)22-20-21-17-6-1-2-7-18(17)24(20)9-8-23-10-12-29-13-11-23/h1-7,14H,8-13H2,(H,21,22,26)
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JH-X-119-01
- ≥97%
CAS号 : 2227368-54-7 Compound CID : 131704492

分子式: C₂₅H₂₀N₆O₃ 分子量: 452.46

IUPAC Name: N-[4-[[3-(prop-2-enoylamino)benzoyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide

SMILES: C=CC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CC(=N3)C4=CC=NN4

InChIKey: WQVPGYMGERDXLH-UHFFFAOYSA-N

InChI: InChI=1S/C25H20N6O3/c1-2-23(32)27-19-6-3-5-16(15-19)24(33)28-17-9-11-18(12-10-17)29-25(34)22-8-4-7-20(30-22)21-13-14-26-31-21/h2-15H,1H2,(H,26,31)(H,27,32)(H,28,33)(H,29,34)
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JH-X-119-01
- 10mM in DMSO
CAS号 : 2227368-54-7(DMSO) Compound CID : 131704492

分子式: C₂₅H₂₀N₆O₃ 分子量: 452.46

IUPAC Name: N-[4-[[3-(prop-2-enoylamino)benzoyl]amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide

SMILES: C=CC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CC(=N3)C4=CC=NN4

InChIKey: WQVPGYMGERDXLH-UHFFFAOYSA-N

InChI: InChI=1S/C25H20N6O3/c1-2-23(32)27-19-6-3-5-16(15-19)24(33)28-17-9-11-18(12-10-17)29-25(34)22-8-4-7-20(30-22)21-13-14-26-31-21/h2-15H,1H2,(H,26,31)(H,27,32)(H,28,33)(H,29,34)
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JH-VIII-157-02
- 10mM in DMSO
CAS号 : 1639422-97-1(DMSO)

分子式: C₂₈H₂₇N₅O₂ 分子量: 465.55

SMILES: CCC1=CC2=C(C=C1C3=CN(N=C3)CC(=O)N(C)C)C(C4=C(C2=O)C5=C(N4)C=C(C=C5)C#N)(C)C
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JH-VIII-157-02
- ≥99%
CAS号 : 1639422-97-1 Compound CID : 127037084

分子式: C₂₈H₂₇N₅O₂ 分子量: 465.55

IUPAC Name: 2-[4-(3-cyano-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)pyrazol-1-yl]-N,N-dimethylacetamide

SMILES: CCC1=CC2=C(C=C1C3=CN(N=C3)CC(=O)N(C)C)C(C4=C(C2=O)C5=C(N4)C=C(C=C5)C#N)(C)C

InChIKey: IDGNCVHQDDOPND-UHFFFAOYSA-N

InChI: InChI=1S/C28H27N5O2/c1-6-17-10-21-22(11-20(17)18-13-30-33(14-18)15-24(34)32(4)5)28(2,3)27-25(26(21)35)19-8-7-16(12-29)9-23(19)31-27/h7-11,13-14,31H,6,15H2,1-5H3
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硝苯地平
- ≥98%(HPLC)
CAS号 : 21829-25-4 Compound CID : 4485

分子式: C₁₇H₁₈N₂O₆ 分子量: 346.33

IUPAC Name: dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC

InChIKey: HYIMSNHJOBLJNT-UHFFFAOYSA-N

InChI: InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3
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5-(4-苯氧基丁氧基)补骨脂素（PAP-1）
- ≥98%
CAS号 : 870653-45-5 Compound CID : 11302540

分子式: C₂₁H₁₈O₅ 分子量: 350.36

IUPAC Name: 4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one

SMILES: C1=CC=C(C=C1)OCCCCOC2=C3C=CC(=O)OC3=CC4=C2C=CO4

InChIKey: KINMYBBFQRSVLL-UHFFFAOYSA-N

InChI: InChI=1S/C21H18O5/c22-20-9-8-16-19(26-20)14-18-17(10-13-24-18)21(16)25-12-5-4-11-23-15-6-2-1-3-7-15/h1-3,6-10,13-14H,4-5,11-12H2
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R406（游离碱）
- ≥99%
CAS号 : 841290-80-0 Compound CID : 11213558

分子式: C₂₂H₂₃FN₆O₅ 分子量: 470.45

IUPAC Name: 6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

SMILES: CC1(C(=O)NC2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)C

InChIKey: NHHQJBCNYHBUSI-UHFFFAOYSA-N

InChI: InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)
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