激动剂、拮抗剂和抑制剂-生物科学-阿拉丁aladdin

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阿法替尼
- ≥95%
CAS号 : 439081-18-2 Compound CID : 10184653

分子式: C₂₄H₂₅ClFN₅O₃ 分子量: 485.94

IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide

SMILES: CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4

InChIKey: ULXXDDBFHOBEHA-CWDCEQMOSA-N

InChI: InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
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PD168393,细胞渗透性EGFR抑制剂
- ≥98%
CAS号 : 194423-15-9 Compound CID : 4708

分子式: C₁₇H₁₃BrN₄O 分子量: 369.22

IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]prop-2-enamide

SMILES: C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br

InChIKey: HTUBKQUPEREOGA-UHFFFAOYSA-N

InChI: InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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TAK-285
- ≥98%
CAS号 : 871026-44-7 Compound CID : 11620908

分子式: C₂₆H₂₅ClF₃N₅O₃ 分子量: 547.96

IUPAC Name: N-[2-[4-[3-chloro-4-[3-(trifluoromethyl)phenoxy]anilino]pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-3-hydroxy-3-methylbutanamide

SMILES: CC(C)(CC(=O)NCCN1C=CC2=C1C(=NC=N2)NC3=CC(=C(C=C3)OC4=CC=CC(=C4)C(F)(F)F)Cl)O

InChIKey: ZYQXEVJIFYIBHZ-UHFFFAOYSA-N

InChI: InChI=1S/C26H25ClF3N5O3/c1-25(2,37)14-22(36)31-9-11-35-10-8-20-23(35)24(33-15-32-20)34-17-6-7-21(19(27)13-17)38-18-5-3-4-16(12-18)26(28,29)30/h3-8,10,12-13,15,37H,9,11,14H2,1-2H3,(H,31,36)(H,32,33,34)
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DB07268,JNK1抑制剂
- ≥98%
CAS号 : 929007-72-7 Compound CID : 16058637

分子式: C₁₇H₁₅N₅O₂ 分子量: 321.33

IUPAC Name: 2-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]benzamide

SMILES: C1=CC=C(C(=C1)C(=O)N)NC2=NC(=NC=C2)NC3=CC(=CC=C3)O

InChIKey: QHPKKGUGRGRSGA-UHFFFAOYSA-N

InChI: InChI=1S/C17H15N5O2/c18-16(24)13-6-1-2-7-14(13)21-15-8-9-19-17(22-15)20-11-4-3-5-12(23)10-11/h1-10,23H,(H2,18,24)(H2,19,20,21,22)
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达克替尼（PF299804、PF299）
- ≥99%
CAS号 : 1110813-31-4 Compound CID : 11511120

分子式: C₂₄H₂₅ClFN₅O₂ 分子量: 469.94

IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide

SMILES: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)C=CCN4CCCCC4

InChIKey: LVXJQMNHJWSHET-AATRIKPKSA-N

InChI: InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+
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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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二甲苯磺酸拉帕替尼一水合物
- ≥98%
CAS号 : 388082-78-8 Compound CID : 11557040

分子式: C₄₃H₄₄ClFN₄O₁₁S₃ 分子量: 943.49

IUPAC Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;4-methylbenzenesulfonic acid;hydrate

SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl.O

InChIKey: XNRVGTHNYCNCFF-UHFFFAOYSA-N

InChI: InChI=1S/C29H26ClFN4O4S.2C7H8O3S.H2O/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19;2*1-6-2-4-7(5-3-6)11(8,9)10;/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35);2*2-5H,1H3,(H,8,9,10);1H2
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Canertinib 二盐酸盐
- ≥98%(HPLC)
CAS号 : 289499-45-2 Compound CID : 156413

分子式: C₂₄H₂₅ClFN₅O₃·2HCl 分子量: 558.86

IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide;dihydrochloride

SMILES: C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4.Cl.Cl

InChIKey: JZZFDCXSFTVOJY-UHFFFAOYSA-N

InChI: InChI=1S/C24H25ClFN5O3.2ClH/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16;;/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29);2*1H
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SR 3576,JNK3抑制剂
- ≥98%
CAS号 : 1164153-22-3 Compound CID : 70702008

分子式: C₂₇H₂₇N₅O₅ 分子量: 501.54

IUPAC Name: 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide

SMILES: CC1=CC(=CC=C1)NC(=O)NC2=CN(N=C2)C3=CC=CC(=C3)C(=O)NC4=CC(=C(C(=C4)OC)OC)OC

InChIKey: MTFAYLZZDJGFGV-UHFFFAOYSA-N

InChI: InChI=1S/C27H27N5O5/c1-17-7-5-9-19(11-17)30-27(34)31-21-15-28-32(16-21)22-10-6-8-18(12-22)26(33)29-20-13-23(35-2)25(37-4)24(14-20)36-3/h5-16H,1-4H3,(H,29,33)(H2,30,31,34)
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CL-387785
- ≥97%
CAS号 : 194423-06-8 Compound CID : 2776

分子式: C₁₈H₁₃BrN₄O 分子量: 381.2

IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]but-2-ynamide

SMILES: CC#CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br

InChIKey: BTYYWOYVBXILOJ-UHFFFAOYSA-N

InChI: InChI=1S/C18H13BrN4O/c1-2-4-17(24)22-14-7-8-16-15(10-14)18(21-11-20-16)23-13-6-3-5-12(19)9-13/h3,5-11H,1H3,(H,22,24)(H,20,21,23)
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GW2974
- ≥98%
CAS号 : 202272-68-2 Compound CID : 6603857

分子式: C₂₃H₂₁N₇ 分子量: 395.46

IUPAC Name: 4-N-(1-benzylindazol-5-yl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine

SMILES: CN(C)C1=NC=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)N(N=C4)CC5=CC=CC=C5

InChIKey: DYYZXRCFCVDSKD-UHFFFAOYSA-N

InChI: InChI=1S/C23H21N7/c1-29(2)22-11-19-20(13-24-22)25-15-26-23(19)28-18-8-9-21-17(10-18)12-27-30(21)14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,25,26,28)
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Afatinib
- ≥98%
CAS号 : 439081-18-2 Compound CID : 10184653

分子式: C₂₄H₂₅ClFN₅O₃ 分子量: 485.94

IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide

SMILES: CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4

InChIKey: ULXXDDBFHOBEHA-CWDCEQMOSA-N

InChI: InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
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