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Box5

CAT: 1568-C06918-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C06918-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
881188-48-3
SKU
C06918-5mg
Target
Wnt/beta-catenin
Applications
Cytoskeletal Signaling
Smiles
CSCCC (N) C (=O) NC (CC (O) =O) C (=O) NCC (=O) NC (CS) C (=O) NC (CCC (O) =O) C (=O) NC (CC (C) C) C (O) =O
Molecular Formula
C25H42N6O11S2
Additionnal Information
Box5, a Wnt5a-derived N-butyloxycarbonyl hexapeptide (t-Boc-Met-Asp-Gly-Cys-Glu-Leu), acts as an Wnt5a antagonist, inhibits the basal migration and invasion of Wnt5a-expressing HTB63 melanoma cells, antagonizes the effects of Wnt5a on melanoma cell migration and invasion by directly inhibiting Wnt5a-induced PKC and Ca (2+) signaling.
Storage Conditions
3 years-20°C powder

Chemical Information

Mdgcel
CAS Number881188-48-3
PubChem CID44814949
IUPAC Name(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid
Molecular FormulaC25H42N6O11S2
Molecular Weight666.8
XLogP-4.2
Topological Polar Surface Area310
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count22
Heavy Atom Count44
Formal Charge0
Complexity1050
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)N
InChI
InChI=1S/C25H42N6O11S2/c1-12(2)8-16(25(41)42)31-23(39)14(4-5-19(33)34)29-24(40)17(11-43)28-18(32)10-27-22(38)15(9-20(35)36)30-21(37)13(26)6-7-44-3/h12-17,43H,4-11,26H2,1-3H3,(H,27,38)(H,28,32)(H,29,40)(H,30,37)(H,31,39)(H,33,34)(H,35,36)(H,41,42)/t13-,14-,15-,16-,17-/m0/s1
InChIKey
LDLUXCDRSTVFKO-WOYTXXSLSA-N
Chemical Structure
2D Structure
2D structure of Mdgcel
CAS: 881188-48-3
CID: 44814949
Formula: C25H42N6O11S2
MW: 666.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight666.8
XLogP3-4.2
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count22
Exact Mass666.23529852
Monoisotopic Mass666.23529852
Topological Polar Surface Area310 Ų
Heavy Atom Count44
Formal Charge0
Complexity1050
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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