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Box5

CAT: 0804-HY-123071-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-123071-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Box5 is a potent Wnt5a antagonist. Box5 inhibits Wnt5a signaling and inhibits Wnt5a-mediated Ca2+ release. Box5 inhibits cell migration. Box5 has the potential for the research of melanoma[1].
CAS Number
1206604-29-6
UNSPSC
12352209
Target
Wnt
Type
Peptides
Related Pathways
Stem Cell/Wnt
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/box5.html
Purity
99.24
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC(C)C[C@@H](C(O)=O)NC([C@H](CCC(O)=O)NC([C@H](CS)NC(CNC([C@H](CC(O)=O)NC([C@H](CCSC)NC(OC(C)(C)C)=O)=O)=O)=O)=O)=O
Molecular Formula
C30H50N6O13S2
Molecular Weight
766.88
References & Citations
[1]Jenei V, et al. A t-butyloxycarbonyl-modified Wnt5a-derived hexapeptide functions as a potent antagonist of Wnt5a-dependent melanoma cell invasion. Proc Natl Acad Sci U S A. 2009 Nov 17;106 (46) :19473-8.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture)
Scientific Category
Peptides
Clinical Information
No Development Reported
Isoform
Wnt5
Citation 01
J Mol Cell Biol. 2025 Jul 28;17 (2) :mjaf002.|J Neuroinflammation. 2024 Mar 26;21 (1) :75.|J Transl Med. 2025 Mar 6;23 (1) :282.|Nano Today. 2024 Apr, 55, 102201.|Adv Sci (Weinh) . 2025 Jun 24:e02774.|J Immunother Cancer. 2025 Mar 22;13 (3) :e010555.|Oral Dis. 2024 May 8.

Chemical Information

(2S)-2-[[(2S)-4-carboxy-2-[[(2R)-2-[[2-[[(2S)-3-carboxy-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]butanoyl]amino]-4-methylpentanoic acid

(2S)-2-[[(2S)-4-carboxy-2-[[(2R)-2-[[2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxobutyl]amino]-4-methylpentanoic acid is a peptide.

CAS Number1206604-29-6
PubChem CID73438899
IUPAC Name(2S)-2-[[(2S)-4-carboxy-2-[[(2R)-2-[[2-[[(2S)-3-carboxy-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]butanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC30H50N6O13S2
Molecular Weight766.9
XLogP-0.2
Topological Polar Surface Area322
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count25
Heavy Atom Count51
Formal Charge0
Complexity1260
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C
InChI
InChI=1S/C30H50N6O13S2/c1-15(2)11-19(28(46)47)35-25(43)16(7-8-22(38)39)33-27(45)20(14-50)32-21(37)13-31-24(42)18(12-23(40)41)34-26(44)17(9-10-51-6)36-29(48)49-30(3,4)5/h15-20,50H,7-14H2,1-6H3,(H,31,42)(H,32,37)(H,33,45)(H,34,44)(H,35,43)(H,36,48)(H,38,39)(H,40,41)(H,46,47)/t16-,17-,18-,19-,20-/m0/s1
InChIKey
AOPLBFBLFXYCNE-HVTWWXFQSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-[[(2S)-4-carboxy-2-[[(2R)-2-[[2-[[(2S)-3-carboxy-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]butanoyl]amino]-4-methylpentanoic acid
CAS: 1206604-29-6
CID: 73438899
Formula: C30H50N6O13S2
MW: 766.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight766.9
XLogP3-0.2
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count25
Exact Mass766.28772802
Monoisotopic Mass766.28772802
Topological Polar Surface Area322 Ų
Heavy Atom Count51
Formal Charge0
Complexity1260
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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