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NLS-CPP

CAT: 0931-TP3775-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TP3775-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1228086-59-6
Target
Others
Related Pathways
Others
Bioactivity
NLS-CPP is a nuclear localization signal (NLS) -cell penetrating peptide that includes the NLS from OCT6. It facilitates nuclear delivery and can be utilized in the study of chronic inflammatory diseases, including metabolic dysfunction-associated steatohepatitis (MASH) and osteoarthritis (OA) .
Smiles
[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H]([C@@H](C)O)C(O)=O)=O)CCCNC(=N)N)=O)CCCCN)=O)CCCCN)=O)(NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CCC(O)=O)N)=O)CCC(O)=O)=O)CCC(O)=O)=O)C)=O)C)=O)=O)CCCNC(=N)N)=O)CCCCN)=O)CCCNC(=N)N
Molecular Formula
C63H115N25O21
Molecular Weight
1558.74
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

H-Glu-Glu-Glu-Ala-Ala-Gly-Arg-Lys-Arg-Lys-Lys-Arg-Thr-OH
CAS Number1228086-59-6
PubChem CID178203522
IUPAC Name(4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC63H115N25O21
Molecular Weight1558.7
XLogP-19.7
Topological Polar Surface Area816
Hydrogen Bond Donor Count27
Hydrogen Bond Acceptor Count28
Rotatable Bond Count59
Heavy Atom Count109
Formal Charge0
Complexity3100
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)N)O
InChI
InChI=1S/C63H115N25O21/c1-32(78-50(98)33(2)79-52(100)42(20-23-46(93)94)87-58(106)43(21-24-47(95)96)81-51(99)35(67)19-22-45(91)92)49(97)77-31-44(90)80-36(16-10-28-74-61(68)69)53(101)82-37(13-4-7-25-64)55(103)85-40(17-11-29-75-62(70)71)57(105)84-38(14-5-8-26-65)54(102)83-39(15-6-9-27-66)56(104)86-41(18-12-30-76-63(72)73)59(107)88-48(34(3)89)60(108)109/h32-43,48,89H,4-31,64-67H2,1-3H3,(H,77,97)(H,78,98)(H,79,100)(H,80,90)(H,81,99)(H,82,101)(H,83,102)(H,84,105)(H,85,103)(H,86,104)(H,87,106)(H,88,107)(H,91,92)(H,93,94)(H,95,96)(H,108,109)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)/t32-,33-,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-,48-/m0/s1
InChIKey
WZGAAZXIYNPJKT-IKWRVXSSSA-N
Chemical Structure
2D Structure
2D structure of H-Glu-Glu-Glu-Ala-Ala-Gly-Arg-Lys-Arg-Lys-Lys-Arg-Thr-OH
CAS: 1228086-59-6
CID: 178203522
Formula: C63H115N25O21
MW: 1558.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1558.7
XLogP3-19.7
Hydrogen Bond Donor Count27
Hydrogen Bond Acceptor Count28
Rotatable Bond Count59
Exact Mass1557.86993578
Monoisotopic Mass1557.86993578
Topological Polar Surface Area816 Ų
Heavy Atom Count109
Formal Charge0
Complexity3100
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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