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Pantinin-1

CAT: 0804-HY-P10508Size: 1 EachDry Ice: NoHazardous: No
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Description
Pantinin-1 is an antimicrobial peptide found in the venom of the Pandinus imperator scorpion. Pantinin-1 has potent antimicrobial activity against Gram-positive bacteria and fungi, weak antimicrobial activity against Gram-negative bacteria, and very low hemolytic activity against human erythrocytes. Pantinin-1 also has anticancer activity and can induce apoptosis in tumor cells[1].
CAS Number
2383114-96-1
UNSPSC
12352209
Target
Apoptosis; Bacterial
Type
Peptides
Related Pathways
Anti-infection; Apoptosis
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Infection
Assay Protocol
https://www.medchemexpress.com/pantinin-1.html
Smiles
O=C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CC(C)C)C(NCC(N[C@@H](CCCCN)C(N[C@@H](CC(C)C)C(N[C@@H](CC1=CNC2=CC=CC=C12)C(N[C@@H](CCC(O)=O)C(NCC(N[C@@H](CC3=CC=CC=C3)C(N[C@@H](CCCCN)C(N[C@@H](CO)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](C(C)C)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)CN
Molecular Formula
C75H119N17O18
Molecular Weight
1546.85
References & Citations
[1]Crusca Jr E, et al. Biophysical characterization and antitumor activity of synthetic Pantinin peptides from scorpion's venom[J]. Biochimica et Biophysica Acta (BBA) -Biomembranes, 2018, 1860 (11) : 2155-2165.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Pantinin-1
CAS Number2383114-96-1
PubChem CID102602714
IUPAC Name(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
Molecular FormulaC75H119N17O18
Molecular Weight1546.8
XLogP-2.3
Topological Polar Surface Area567
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count21
Rotatable Bond Count52
Heavy Atom Count110
Formal Charge0
Complexity3010
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)CN
InChI
InChI=1S/C75H119N17O18/c1-11-44(9)63(90-58(94)36-78)73(107)88-53(32-41(3)4)66(100)81-38-59(95)82-50(26-18-20-30-76)67(101)86-54(33-42(5)6)69(103)87-56(35-47-37-79-49-25-17-16-24-48(47)49)71(105)85-52(28-29-61(97)98)65(99)80-39-60(96)83-55(34-46-22-14-13-15-23-46)70(104)84-51(27-19-21-31-77)68(102)89-57(40-93)72(106)92-64(45(10)12-2)74(108)91-62(43(7)8)75(109)110/h13-17,22-25,37,41-45,50-57,62-64,79,93H,11-12,18-21,26-36,38-40,76-78H2,1-10H3,(H,80,99)(H,81,100)(H,82,95)(H,83,96)(H,84,104)(H,85,105)(H,86,101)(H,87,103)(H,88,107)(H,89,102)(H,90,94)(H,91,108)(H,92,106)(H,97,98)(H,109,110)/t44-,45-,50-,51-,52-,53-,54-,55-,56-,57-,62-,63-,64-/m0/s1
InChIKey
CJOKMZSNCBNPAA-MHAYHLHISA-N
Chemical Structure
2D Structure
2D structure of Pantinin-1
CAS: 2383114-96-1
CID: 102602714
Formula: C75H119N17O18
MW: 1546.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1546.8
XLogP3-2.3
Hydrogen Bond Donor Count20
Hydrogen Bond Acceptor Count21
Rotatable Bond Count52
Exact Mass1545.89190001
Monoisotopic Mass1545.89190001
Topological Polar Surface Area567 Ų
Heavy Atom Count110
Formal Charge0
Complexity3010
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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CRB1000010-01Pantinin-3
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CRB1000008-01Pantinin-1 - (Antimicrobial Peptides - AMP)
CRB1000540-01Pantinin-2 - (Antimicrobial Peptides - AMP)
CRB1000010-01Pantinin-3 - (Antimicrobial Peptides - AMP)
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