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Polybia-MP1

CAT: 0804-HY-P4809-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P4809-01Size:1 mg
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Description
Polybia-MP1 is an antimicrobial mastoparan peptide[1].
CAS Number
872043-01-1
UNSPSC
12352209
Target
Bacterial
Type
Peptides
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/polybia-mp1.html
Purity
99.03
Solubility
10 mM in DMSO
Smiles
CC(C)C[C@@H](C(N)=O)NC([C@H]([C@@H](C)CC)NC([C@H](CCC(N)=O)NC([C@H](CCCCN)NC([C@H](C)NC([C@H](C)NC([C@H](CC(O)=O)NC([C@H](CC(C)C)NC([C@H](CC(C)C)NC([C@H](CCCCN)NC([C@H](CCCCN)NC([C@@H](NC([C@H](CC(O)=O)NC([C@@H](N)[C@@H](C)CC)=O)=O)CC1=CNC2=CC=CC=C12)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O
Molecular Formula
C78H132N20O19
Molecular Weight
1654.01
References & Citations
[1]Marcia Perez dos Santos Cabrera, et al. Selectivity in the mechanism of action of antimicrobial mastoparan peptide Polybia-MP1. Eur Biophys J. 2008 Jul;37 (6) :879-91.
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

Chemical Information

polybia-MP1

an antimicrobial peptide (AMP) originally found in the venom of the Brazilian wasp Polybia paulista, with sequence IDWKKLLDAAKQIL-NH2.

CAS Number872043-01-1
PubChem CID101960333
IUPAC Name(3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid
Molecular FormulaC78H132N20O19
Molecular Weight1654.0
XLogP-4.5
Topological Polar Surface Area659
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count23
Rotatable Bond Count58
Heavy Atom Count117
Formal Charge0
Complexity3290
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N)N
InChI
InChI=1S/C78H132N20O19/c1-13-43(9)63(83)77(116)97-59(38-62(102)103)76(115)95-57(36-47-39-85-49-24-16-15-23-48(47)49)75(114)90-51(26-18-21-31-80)69(108)89-52(27-19-22-32-81)70(109)93-55(34-41(5)6)73(112)94-56(35-42(7)8)74(113)96-58(37-61(100)101)72(111)87-45(11)66(105)86-46(12)67(106)88-50(25-17-20-30-79)68(107)91-53(28-29-60(82)99)71(110)98-64(44(10)14-2)78(117)92-54(65(84)104)33-40(3)4/h15-16,23-24,39-46,50-59,63-64,85H,13-14,17-22,25-38,79-81,83H2,1-12H3,(H2,82,99)(H2,84,104)(H,86,105)(H,87,111)(H,88,106)(H,89,108)(H,90,114)(H,91,107)(H,92,117)(H,93,109)(H,94,112)(H,95,115)(H,96,113)(H,97,116)(H,98,110)(H,100,101)(H,102,103)/t43-,44-,45-,46-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-,64-/m0/s1
InChIKey
WQWSKHPVGKVCQT-KXOXSZQSSA-N
Chemical Structure
2D Structure
2D structure of polybia-MP1
CAS: 872043-01-1
CID: 101960333
Formula: C78H132N20O19
MW: 1654.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1654.0
XLogP3-4.5
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count23
Rotatable Bond Count58
Exact Mass1652.99776206
Monoisotopic Mass1652.99776206
Topological Polar Surface Area659 Ų
Heavy Atom Count117
Formal Charge0
Complexity3290
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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