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SN 52

CAT: 0957-P1238-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-P1238-01Size:5 mg
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Description
SN52, a cell-permeable peptide containing the p50 NLS, is a selective inhibitor of NF-κB pathway. It selectively and completely blocks the ionizing radiation (IR) -induced nuclear import of p52 and RelB. It also enhances the radiosensitivity of prostate cancer cells.
CAS Number
1071173-56-2
Target
NF-κB
Activity
NF-κB
Molecular Formula
C128H230N38O28

Chemical Information

H-Ala-Ala-Val-Ala-Leu-Leu-Pro-Ala-Val-Leu-Leu-Ala-Leu-Leu-Ala-Pro-Val-Gln-Arg-Lys-Arg-Arg-Lys-Ala-Leu-Pro-OH
CAS Number1071173-56-2
PubChem CID168013065
IUPAC 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
Molecular FormulaC128H230N38O28
Molecular Weight2749.4
XLogP-0.4
Topological Polar Surface Area1050
Hydrogen Bond Donor Count36
Hydrogen Bond Acceptor Count34
Rotatable Bond Count91
Heavy Atom Count194
Formal Charge0
Complexity6160
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
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
InChIKey
KKVAZUYAQWFLEN-YHVXUEFLSA-N
Chemical Structure
2D Structure
2D structure of H-Ala-Ala-Val-Ala-Leu-Leu-Pro-Ala-Val-Leu-Leu-Ala-Leu-Leu-Ala-Pro-Val-Gln-Arg-Lys-Arg-Arg-Lys-Ala-Leu-Pro-OH
CAS: 1071173-56-2
CID: 168013065
Formula: C128H230N38O28
MW: 2749.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight2749.4
XLogP3-0.4
Hydrogen Bond Donor Count36
Hydrogen Bond Acceptor Count34
Rotatable Bond Count91
Exact Mass2748.7775337
Monoisotopic Mass2747.7741788
Topological Polar Surface Area1050 Ų
Heavy Atom Count194
Formal Charge0
Complexity6160
Isotope Atom Count0
Defined Atom Stereocenter Count26
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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