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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Orteronel,抑制剂
- ≥99%
CAS号 : 566939-85-3 Compound CID : 9796590

分子式: C₁₈H₁₇N₃O₂ 分子量: 307.35

IUPAC Name: 6-[(7S)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide

SMILES: CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3(CCN4C3=CN=C4)O

InChIKey: OZPFIJIOIVJZMN-SFHVURJKSA-N

InChI: InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/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-700 (Orteronel),抑制剂
- ≥98%
CAS号 : 426219-18-3 Compound CID : 9883029

分子式: C₁₈H₁₇N₃O₂ 分子量: 307.35

IUPAC Name: 6-(7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl)-N-methylnaphthalene-2-carboxamide

SMILES: CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3(CCN4C3=CN=C4)O

InChIKey: OZPFIJIOIVJZMN-UHFFFAOYSA-N

InChI: InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)
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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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16,17-alpha环氧孕烯醇酮
- ≥97%
CAS号 : 974-23-2

分子式: C₂₁H₃₀O₃ 分子量: 330.46

IUPAC Name: 1-[(1R,2S,4R,6S,7S,10S,11R,14S)-14-hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-6-yl]ethanone

SMILES: CC(=O)C12C(O1)CC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C

InChIKey: UQVIXFCYKBWZPJ-XXHSLLPRSA-N

InChI: InChI=1S/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15+,16-,17-,18+,19-,20-,21+/m0/s1
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16,17-环氧黄体酮
- ≥98%
CAS号 : 1097-51-4

分子式: C₂₁H₂₈O₃ 分子量: 328.45

IUPAC Name: (1R,2S,4R,6S,7S,10S,11R)-6-acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-en-14-one

SMILES: CC(=O)C12C(O1)CC3C2(CCC4C3CCC5=CC(=O)CCC45C)C

InChIKey: LHNVKVKZPHUYQO-SRWWVFQWSA-N

InChI: InChI=1S/C21H28O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1
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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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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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1-[2-(24-二氯苯基)-2-[(24-二氯苯基)甲氧基]乙基]-1H-咪唑
- 10mM in DMSO
CAS号 : 22916-47-8(DMSO)

分子式: C₁₈H₁₄Cl₄N₂O 分子量: 416.13

SMILES: ClC1=CC=C(COC(C[N]2C=CN=C2)C3=C(Cl)C=C(Cl)C=C3)C(=C1)Cl
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