激动剂、拮抗剂和抑制剂-生物科学-阿拉丁aladdin

dBET23

规格或纯度 :

≥99%

CAS号: 1957234-83-1

分子式: C₄₃H₄₅ClN₈O₉S 分子量: 885.38

SMILES: O=C(OC)C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C(NCCCCCCCCNC(COC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)=O)=O)S3)C(C7=CC=C(Cl)C=C7)=N1

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dCBP-1

规格或纯度 :

≥99%

CAS号: 2484739-25-3 Compound CID : 154690309

分子式: C₅₁H₆₃F₂N₁₁O₁₀ 分子量: 1028.11

IUPAC Name: 3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[1-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperiSee more

SMILES: CNC(=O)N1CCC2=C(C1)C(=NN2C3CCN(CC3)C(=O)CCOCCOCCOCCOCCNC4=CC5=C(C=C4)C(=O)N(C5=O)C6CCC(=O)NC6=O)N7CCCC8=CC(=C(C=C87)C(F)F)C9=CN(N=C9)C

InChIKey: ILVRLRGBSSFKIE-UHFFFAOYSA-N

InChI: 1S/C51H63F2N11O10/c1-54-51(70)61-17-11-41-40(31-61)47(62-14-3-4-32-26-37(33-29-56-59(2)30-33)38(46(52)53)28-43(32)62)58-64(41)35-9-15-60(16-10-35)45(66)12-18-71-20-22-73-24-25-74-23-21-72-19-13-55-34-See more

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SJF620

规格或纯度 :

≥99%

CAS号: 2376187-16-3 Compound CID : 139466026

分子式: C₄₁H₄₄N₈O₇ 分子量: 760.84

IUPAC Name: 3-[6-[2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

SMILES: C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)OCCOCCOCCN4CCC(CC4)N5C6=NC=NC(=C6C(=N5)C7=CC=C(C=C7)OC8=CC=CC=C8)N

InChIKey: UJJYPBWMGIPXOE-UHFFFAOYSA-N

InChI: 1S/C41H44N8O7/c42-38-36-37(27-6-8-31(9-7-27)56-30-4-2-1-3-5-30)46-49(39(36)44-26-43-38)29-14-16-47(17-15-29)18-19-53-20-21-54-22-23-55-32-10-11-33-28(24-32)25-48(41(33)52)34-12-13-35(50)45-40(34)51/h1See more

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FKBP12 PROTAC dTAG-13

规格或纯度 :

≥99%

CAS号: 2064175-41-1 Compound CID : 124187630

分子式: C₅₇H₆₈N₄O₁₅ 分子量: 1049.17

IUPAC Name: [(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyhexylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carbSee more

SMILES: CCC(C1=CC(=C(C(=C1)OC)OC)OC)C(=O)N2CCCCC2C(=O)OC(CCC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4OCC(=O)NCCCCCCOC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O

InChIKey: BJFBRLAWLPZOMJ-QHVFGHLPSA-N

InChI: 1S/C57H68N4O15/c1-7-37(36-32-47(71-4)52(73-6)48(33-36)72-5)54(65)60-29-14-12-19-41(60)57(68)76-43(25-22-35-23-26-44(69-2)46(31-35)70-3)38-17-10-11-20-42(38)75-34-50(63)58-28-13-8-9-15-30-74-45-21-16-1See more

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GSK215

规格或纯度 :

≥99%

CAS号: 2743427-26-9

分子式: C₅₀H₅₉F₃N₁₀O₆S 分子量: 985.13

SMILES: O=C([C@H]1N(C([C@@H](NC(CN2CCN(C3=CC=C(NC4=NC=C(C(F)(F)F)C(NC5=CC=CC=C5C(NC)=O)=C4)C(OC)=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C

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MZP-55

规格或纯度 :

≥99%

CAS号: 2010159-48-3 Compound CID : 122539896

分子式: C₅₇H₇₀ClN₇O₁₀S 分子量: 1080.72

IUPAC Name: (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[[4-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxSee more

SMILES: CC1CC(C2=C(N1C(=O)C)C=CC(=C2)C3=CC=C(C=C3)C(=O)NCCOCCOCCOCCOCC(=O)NC(C(=O)N4CC(CC4C(=O)NCC5=CC=C(C=C5)C6=C(N=CS6)C)O)C(C)(C)C)NC7=CC=C(C=C7)Cl

InChIKey: UHWNJFZTYJNBAN-HYXXSBGTSA-N

InChI: 1S/C57H70ClN7O10S/c1-36-29-48(62-45-18-16-44(58)17-19-45)47-30-43(15-20-49(47)65(36)38(3)66)40-11-13-42(14-12-40)54(69)59-21-22-72-23-24-73-25-26-74-27-28-75-34-51(68)63-53(57(4,5)6)56(71)64-33-46(67)See more

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PROTAC RIPK degrader-6

规格或纯度 :

≥99%

CAS号: 2089205-64-9 Compound CID : 126696039

分子式: C₄₃H₄₈N₆O₁₁S₂ 分子量: 889.00

IUPAC Name: 2-[2-[2-[2-[2-[4-(1,3-benzothiazol-5-ylamino)-6-tert-butylsulfonylquinolin-7-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide

SMILES: CC(C)(C)S(=O)(=O)C1=CC2=C(C=CN=C2C=C1OCCOCCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C4=O)C5CCC(=O)NC5=O)NC6=CC7=C(C=C6)SC=N7

InChIKey: BRZGXSNAXRPPFI-UHFFFAOYSA-N

InChI: 1S/C43H48N6O11S2/c1-43(2,3)62(54,55)38-22-29-32(46-27-7-9-37-34(21-27)45-26-61-37)11-12-44-33(29)23-36(38)60-20-19-58-16-15-56-13-14-57-17-18-59-25-40(51)47-31-6-4-5-28-30(31)24-49(42(28)53)35-8-10-39See more

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MS170

规格或纯度 :

≥99%

CAS号: 2376136-61-5

分子式: C₄₅H₅₆ClN₉O₇ 分子量: 870.44

SMILES: O=C1C2=C(NCCCCCCCCNC(CCNC[C@H](C3=CC=C(C=C3)Cl)C(N4CCN(C5=C6C([C@@H](C[C@H]6C)O)=NC=N5)CC4)=O)=O)C=CC=C2C(N1C7C(NC(CC7)=O)=O)=O

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SIM1

规格或纯度 :

≥99%

CAS号: 2719051-84-8

分子式: C₇₉H₉₈Cl₂N₁₄O₁₃S₃ 分子量: 1618.81

SMILES: CC1=C(C(C(C2=CC=C(C=C2)Cl)=N[C@@H](CC(NCCOCCOCCOCC(C)(COCCOCCOCCNC(C[C@@H]3N=C(C4=C(N5C3=NN=C5C)SC(C)=C4C)C6=CC=C(C=C6)Cl)=O)COCC(N[C@H](C(N7[C@@H](C[C@H](C7)O)C(NCC8=CC=C(C=C8)C9=C(N=CS9)C)=O)=O)C(C)See more

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QCA570

规格或纯度 :

≥99%

CAS号: 2207569-08-0 Compound CID : 134348221

分子式: C₃₉H₃₃N₇O₄S 分子量: 695.79

IUPAC Name: 3-[7-[5-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]pent-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

SMILES: CC1=NN=C2N1C3=C(COC2)C(=C(S3)C#CC4=CN(N=C4)CCCC#CC5=C6CN(C(=O)C6=CC=C5)C7CCC(=O)NC7=O)CC8=CC=CC=C8

InChIKey: RTVTYLRQKKDYMQ-UHFFFAOYSA-N

InChI: 1S/C39H33N7O4S/c1-25-42-43-35-24-50-23-32-30(19-26-9-4-2-5-10-26)34(51-39(32)46(25)35)16-14-27-20-40-44(21-27)18-7-3-6-11-28-12-8-13-29-31(28)22-45(38(29)49)33-15-17-36(47)41-37(33)48/h2,4-5,8-10,12-1See more

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DB1113

规格或纯度 :

≥99%

CAS号: 2769753-53-7

分子式: C₅₉H₆₈F₃N₁₃O₆S 分子量: 1144.31

SMILES: O=C1N(C2=CC(NC(C3=CC(C(F)(F)F)=CC=C3)=O)=CC=C2C)CC4=CN=C(NC5=CN=C(N6CCN(CC6)CCCCC(N[C@@H](C(C)(C)C)C(N7[C@@H](C[C@H](C7)O)C(N[C@H](C8=CC=C(C9=C(N=CS9)C)C=C8)C)=O)=O)=O)C=C5)N=C4N1C

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iRucaparib-AP6

规格或纯度 :

≥99%

CAS号: 2410557-00-3 Compound CID : 138857977

分子式: C₄₆H₅₅FN₆O₁₁ 分子量: 886.96

IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[2-[2-[[4-(6-fluoro-9-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoSee more

SMILES: CN(CCOCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O)CC4=CC=C(C=C4)C5=C6CCNC(=O)C7=C6C(=CC(=C7)F)N5

InChIKey: YHMDCINUVWULST-UHFFFAOYSA-N

InChI: 1S/C46H55FN6O11/c1-52(29-30-5-7-31(8-6-30)42-33-11-12-49-43(55)35-27-32(47)28-37(50-42)40(33)35)14-16-60-18-20-62-22-24-64-26-25-63-23-21-61-19-17-59-15-13-48-36-4-2-3-34-41(36)46(58)53(45(34)57)38-9-See more

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