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NLS-StAx-h

CAT: 0804-HY-P2272Size: 100 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-P2272Size:100 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NLS-StAx-h is a selective, cell permeable, stapled peptide Wnt signaling inhibitor with an IC50 of 1.4 μM. NLS-StAx-h efficiently inhibits β-catenin-transcription factor interactions. NLS-StAx-h shows anti-proliferation of cancer cells[1][2].
CAS Number
2872559-21-0
UNSPSC
12352209
Target
Wnt; β-catenin
Type
Peptides
Related Pathways
Stem Cell/Wnt
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/nls-stax-h.html
Solubility
10 mM in DMSO
Smiles
O=C(N1[C@@H](CCC1)C(N[C@@H](CCCCNC(N)=N)C(N[C@@]2(C(N[C@@](C(N[C@H](C(N[C@H](C(N[C@@](C)(CCC/C=C/CCC2)C(N[C@H](C(N[C@@H](C(C)C)C(N[C@@H](CCCCNC(N)=N)C(N[C@@H](CCCCNC(N)=N)C(N[C@@H](C(C)C)C(N[C@H](C(N[C@H](C(N)=O)CCCCNC(N)=N)=O)CC3=CNC4=CC=CC=C34)=O)=O)=O)=O)=O)CC5=CN=CN5)=O)=O)CC(O)=O)=O)CC(C)C)=O)([H])[C@@H](C)CC)=O)C)=O)=O)[C@@H](NC([C@H](CCCCNC(N)=N)NC([C@H](CCCCNC(N)=N)NC(COCCOCCNC([C@H](C(C)C)NC([C@H](CCCCN)NC([C@H](CCCNC(N)=N)NC([C@H](CCCCN)NC([C@H](CCCCN)NC([C@H](CCCCN)NC([C@@H]6CCCN6)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)CC7=CNC8=CC=CC=C78
Molecular Formula
C161H275N55O29
Molecular Weight
3445.25
References & Citations
[1]Laura Dietrich, et al. Cell Permeable Stapled Peptide Inhibitor of Wnt Signaling That Targets β-Catenin Protein-Protein Interactions|[2]ang Z, et al. Direct targeting of β-catenin in the Wnt signaling pathway: Current progress and perspectives. Med Res Rev. 2021 Jul;41 (4) :2109-2129.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

NLS-StAx-h
CAS Number2872559-21-0
PubChem CID178188956
IUPAC Name2-[(3S,6S,9S,12S,16Z,21S)-12-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[2-[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-pyrrolidine-2-carbonyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]ethoxy]ethoxy]acetyl]amino]-6-carbamimidamidohexanoyl]amino]-6-carbamimidamidohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-6-carbamimidamidohexanoyl]amino]-21-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-6-carbamimidamido-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-carbamimidamido-1-oxohexan-2-yl]amino]-6-carbamimidamido-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl]-9-[(2S)-butan-2-yl]-12,21-dimethyl-6-(2-methylpropyl)-2,5,8,11-tetraoxo-1,4,7,10-tetrazacyclohenicos-16-en-3-yl]acetic acid
Molecular FormulaC161H275N55O29
Molecular Weight3445.3
XLogP-3.9
Topological Polar Surface Area1400
Hydrogen Bond Donor Count54
Hydrogen Bond Acceptor Count42
Rotatable Bond Count118
Heavy Atom Count245
Formal Charge0
Complexity7790
SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@](CCC/C=C\CCC[C@](C(=O)N1)(C)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)COCCOCCNC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]5CCCN5)(C)C(=O)N[C@@H](CC6=CN=CN6)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N)CC(=O)O)CC(C)C
InChI
InChI=1S/C161H275N55O29/c1-13-97(10)128-149(240)206-117(83-93(2)3)140(231)205-120(87-124(218)219)144(235)215-160(11,151(242)209-119(86-100-90-181-92-193-100)142(233)212-126(95(6)7)147(238)204-112(58-29-41-73-187-156(173)174)135(226)201-114(59-30-42-74-188-157(175)176)139(230)211-127(96(8)9)148(239)207-118(84-98-88-191-103-49-20-18-47-101(98)103)141(232)195-105(129(166)220)51-26-38-70-184-153(167)168)64-32-16-14-15-17-33-65-161(12,152(243)213-128)214-143(234)116(60-31-43-75-189-158(177)178)203-145(236)122-63-46-79-216(122)150(241)121(85-99-89-192-104-50-21-19-48-102(99)104)208-137(228)111(57-28-40-72-186-155(171)172)197-131(222)107(56-27-39-71-185-154(169)170)194-123(217)91-245-82-81-244-80-78-183-146(237)125(94(4)5)210-138(229)113(55-25-37-69-165)200-136(227)115(62-45-77-190-159(179)180)202-134(225)110(54-24-36-68-164)199-133(224)109(53-23-35-67-163)198-132(223)108(52-22-34-66-162)196-130(221)106-61-44-76-182-106/h14-15,18-21,47-50,88-90,92-97,105-122,125-128,182,191-192H,13,16-17,22-46,51-87,91,162-165H2,1-12H3,(H2,166,220)(H,181,193)(H,183,237)(H,194,217)(H,195,232)(H,196,221)(H,197,222)(H,198,223)(H,199,224)(H,200,227)(H,201,226)(H,202,225)(H,203,236)(H,204,238)(H,205,231)(H,206,240)(H,207,239)(H,208,228)(H,209,242)(H,210,229)(H,211,230)(H,212,233)(H,213,243)(H,214,234)(H,215,235)(H,218,219)(H4,167,168,184)(H4,169,170,185)(H4,171,172,186)(H4,173,174,187)(H4,175,176,188)(H4,177,178,189)(H4,179,180,190)/b15-14-/t97-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,125-,126-,127-,128-,160-,161-/m0/s1
InChIKey
NQDXIROEXUQMGO-YCYPXFDESA-N
Chemical Structure
2D Structure
2D structure of NLS-StAx-h
CAS: 2872559-21-0
CID: 178188956
Formula: C161H275N55O29
MW: 3445.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3445.3
XLogP3-3.9
Hydrogen Bond Donor Count54
Hydrogen Bond Acceptor Count42
Rotatable Bond Count118
Exact Mass3444.1768328
Monoisotopic Mass3443.1734780
Topological Polar Surface Area1400 Ų
Heavy Atom Count245
Formal Charge0
Complexity7790
Isotope Atom Count0
Defined Atom Stereocenter Count25
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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