PROTACs、分子胶和其他降解剂
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甲基-PEG12-NHS酯CAS号 : 756525-94-7 Compound CID : 51340982分子式: C30H55NO16 分子量: 685.76IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoateSMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=OInChIKey: ZMXRHHJWXLKMTL-UHFFFAOYSA-NInChI: InChI=1S/C30H55NO16/c1-35-6-7-37-10-11-39-14-15-41-18-19-43-22-23-45-26-27-46-25-24-44-21-20-42-17-16-40-13-12-38-9-8-36-5-4-30(34)47-31-28(32)2-3-29(31)33/h2-27H2,1H3
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15-叠氮基-4,7,10,13-四氧杂十五烷酸叔丁酯CAS号 : 581066-04-8分子式: C15H29N3O6 分子量: 347.41IUPAC Name: tert-butyl 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoateSMILES: CC(C)(C)OC(=O)CCOCCOCCOCCOCCN=[N+]=[N-]InChIKey: KUOGRGKKXWMJFM-UHFFFAOYSA-NInChI: InChI=1S/C15H29N3O6/c1-15(2,3)24-14(19)4-6-20-8-10-22-12-13-23-11-9-21-7-5-17-18-16/h4-13H2,1-3H3
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1,17-二氨基-3,6,9,12,15-五氧杂十七烷CAS号 : 72236-26-1分子式: C12H28N2O5 分子量: 280.36IUPAC Name: 2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamineSMILES: C(COCCOCCOCCOCCOCCN)NInChIKey: FOOPZYBJIJNBLQ-UHFFFAOYSA-NInChI: InChI=1S/C12H28N2O5/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h1-14H2
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Cbz-NH-PEG4-C2-acid,一种 PROTAC linkerCAS号 : 756526-00-8 Compound CID : 51340940分子式: C19H29NO8 分子量: 399.44IUPAC Name: 3-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acidSMILES: C1=CC=C(C=C1)COC(=O)NCCOCCOCCOCCOCCC(=O)OInChIKey: QGTQYXJCFILXDO-UHFFFAOYSA-NInChI: InChI=1S/C19H29NO8/c21-18(22)6-8-24-10-12-26-14-15-27-13-11-25-9-7-20-19(23)28-16-17-4-2-1-3-5-17/h1-5H,6-16H2,(H,20,23)(H,21,22)
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Fmoc-NH-(PEG)₉-CH₂CH₂COOHCAS号 : 1191064-81-9 Compound CID : 91757822分子式: C36H53NO13 分子量: 707.8IUPAC Name: 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acidSMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OInChIKey: NEESTRVILHNOJT-UHFFFAOYSA-NInChI: InChI=1S/C36H53NO13/c38-35(39)9-11-41-13-15-43-17-19-45-21-23-47-25-27-49-28-26-48-24-22-46-20-18-44-16-14-42-12-10-37-36(40)50-29-34-32-7-3-1-5-30(32)31-6-2-4-8-33(31)34/h1-8,34H,9-29H2,(H,37,40)(H,38,39)
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HO-PEG₁₂-CH₂CH₂COOtBuCAS号 : 892154-71-1 Compound CID : 16211131分子式: C21H62O15 分子量: 674.83IUPAC Name: tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoateSMILES: CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOInChIKey: UOOVFHUCPREVAH-UHFFFAOYSA-NInChI: InChI=1S/C31H62O15/c1-31(2,3)46-30(33)4-6-34-8-10-36-12-14-38-16-18-40-20-22-42-24-26-44-28-29-45-27-25-43-23-21-41-19-17-39-15-13-37-11-9-35-7-5-32/h32H,4-29H2,1-3H3
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HO-PEG8-CH2CH2COOH,一种 PROTAC linkerCAS号 : 937188-60-8 Compound CID : 77078399分子式: C19H38O11 分子量: 442.5IUPAC Name: 3-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acidSMILES: C(COCCOCCOCCOCCOCCOCCOCCOCCO)C(=O)OInChIKey: BGBLNDCLYGWOKM-UHFFFAOYSA-NInChI: InChI=1S/C19H38O11/c20-2-4-24-6-8-26-10-12-28-14-16-30-18-17-29-15-13-27-11-9-25-7-5-23-3-1-19(21)22/h20H,1-18H2,(H,21,22)
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(2-(2-(2-羟基乙氧基)乙氧基)乙基)氨基甲酸叔丁酯CAS号 : 139115-92-7 Compound CID : 15742132分子式: C11H23NO5 分子量: 249.3IUPAC Name: tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamateSMILES: CC(C)(C)OC(=O)NCCOCCOCCOInChIKey: FMLOTGGIHAYZLW-UHFFFAOYSA-NInChI: InChI=1S/C11H23NO5/c1-11(2,3)17-10(14)12-4-6-15-8-9-16-7-5-13/h13H,4-9H2,1-3H3,(H,12,14)
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Tos-PEG4-Boc,对甲苯磺酸酯丙酸叔丁酯三乙二醇CAS号 : 217817-01-1 Compound CID : 60146205分子式: C20H32O8S 分子量: 432.53IUPAC Name: tert-butyl 3-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]propanoateSMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCC(=O)OC(C)(C)CInChIKey: AAQWIVKRAHBPDM-UHFFFAOYSA-NInChI: InChI=1S/C20H32O8S/c1-17-5-7-18(8-6-17)29(22,23)27-16-15-26-14-13-25-12-11-24-10-9-19(21)28-20(2,3)4/h5-8H,9-16H2,1-4H3
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TL 13-112,ALK降解剂CAS号 : 2229037-19-6 Compound CID : 138108958分子式: C49H60ClN9O10S 分子量: 1002.57IUPAC Name: N-[2-[2-[2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamideSMILES: CC1=CC(=C(C=C1C2CCN(CC2)CCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C4=O)C5CCC(=O)NC5=O)OC(C)C)NC6=NC=C(C(=N6)NC7=CC=CC=C7S(=O)(=O)C(C)C)ClInChIKey: XIRQUXILNXIWDI-UHFFFAOYSA-NInChI: InChI=1S/C49H60ClN9O10S/c1-29(2)69-40-26-34(31(5)25-38(40)55-49-53-27-35(50)45(57-49)54-36-10-6-7-12-41(36)70(65,66)30(3)4)32-15-18-58(19-16-32)20-22-68-24-23-67-21-17-51-43(61)28-52-37-11-8-9-33-44(37)48(64)59(47(33)63)39-13-14-42(60)56-46(39)62/h6-12,25-27,29-30,32,39,52H,13-24,28H2,1-5H3,(H,51,61)(H,56,60,62)(H2,53,54,55,57)
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Thalidomide-O-PEG2-propargylCAS号 : 2098487-52-4 Compound CID : 131988624分子式: C20H20N2O7 分子量: 400.38IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-(2-prop-2-ynoxyethoxy)ethoxy]isoindole-1,3-dioneSMILES: C#CCOCCOCCOC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=OInChIKey: XJWGDRINRIEEJD-UHFFFAOYSA-NInChI: InChI=1S/C20H20N2O7/c1-2-8-27-9-10-28-11-12-29-15-5-3-4-13-17(15)20(26)22(19(13)25)14-6-7-16(23)21-18(14)24/h1,3-5,14H,6-12H2,(H,21,23,24)
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Br-PEG4-OHCAS号 : 85141-94-2 Compound CID : 14786209分子式: C8H17BrO4 分子量: 257.12IUPAC Name: 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethanolSMILES: C(COCCOCCOCCBr)OInChIKey: CERQCRALBKUCTF-UHFFFAOYSA-NInChI: InChI=1S/C8H17BrO4/c9-1-3-11-5-7-13-8-6-12-4-2-10/h10H,1-8H2
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