SN52, a novel nuclear factor-kappaB inhibitor, blocks nuclear import of RelB:p52 dimer and sensitizes prostate cancer cells to ionizing radiation.
CAT No: GR2152
CAS No: 1071173-56-2
Chemical Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
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M.F/Formula | C128H230N38O28 |
M.W/Mr. | 2749.43 |
Appearance | Solid |
InChI | InChI=1S/C128H230N38O28/c1-63(2)56-86(156-115(183)90(60-67(9)10)158-121(189)98(71(17)18)162-105(173)78(26)145-117(185)93-43-36-54-165(93)123(191)92(62-69(13)14)160-116(184)89(59-66(7)8)155-102(170)76(24)146-119(187)97(70(15)16)161-104(172)77(25)142-100(168)73(21)131)112(180)144-74(22)101(169)154-88(58-65(5)6)114(182)157-87(57-64(3)4)113(181)147-79(27)122(190)164-53-35-44-94(164)118(186)163-99(72(19)20)120(188)153-85(46-47-96(132)167)111(179)152-84(42-34-52-141-128(137)138)109(177)149-81(39-29-31-49-130)107(175)150-83(41-33-51-140-127(135)136)110(178)151-82(40-32-50-139-126(133)134)108(176)148-80(38-28-30-48-129)106(174)143-75(23)103(171)159-91(61-68(11)12)124(192)166-55-37-45-95(166)125(193)194/h63-95,97-99H,28-62,129-131H2,1-27H3,(H2,132,167)(H,142,168)(H,143,174)(H,144,180)(H,145,185)(H,146,187)(H,147,181)(H,148,176)(H,149,177)(H,150,175)(H,151,178)(H,152,179)(H,153,188)(H,154,169)(H,155,170)(H,156,183)(H,157,182)(H,158,189)(H,159,171)(H,160,184)(H,161,172)(H,162,173)(H,163,186)(H,193,194)(H4,133,134,139)(H4,135,136,140)(H4,137,138,141)/t73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,97-,98-,99-/m0/s1 |
InChI Key | KKVAZUYAQWFLEN-YHVXUEFLSA-N |
Canonical SMILES | CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)N2CCCC2C(=O)O)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C3CCCN3C(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(C)N |
Isomeric SMILES | C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)O)N |
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