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β-Pompilidotoxin

CAT: 0607-A1132-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-A1132-10Size:10 mg
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Description
Slows Na+ channel inactivation
CAS Number
216064-36-7
Product Name Alternative
β-Pompilidotoxin
Sequence
Arg-Ile-Lys-Ile-Gly-Leu-Phe-Asp-Gln-Leu-Ser-Arg-Leu
Field of Research
Cancer Biology Cancer Biology Peptides Neuroscience Neuroscience Peptides Other Signal Transduction
Purity
0.9984
Form
A solid
Solubility
≥155.8 mg/mL in DMSO; insoluble in EtOH; ≥22.05 mg/mL in H2O
Smiles
CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(C(C)CC)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)N)NC(=O)C(CCCN=C(N)N)N
Molecular Formula
C71H124N22O17
Molecular Weight
1557.9
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at -20°C.

Chemical Information

beta-Pompilidotoxin

beta-pompilidotoxin has been reported in Anoplius samariensis with data available.

CAS Number216064-36-7
PubChem CID90479801
IUPAC Name(3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid
Molecular FormulaC71H124N22O17
Molecular Weight1557.9
XLogP-4.6
Topological Polar Surface Area674
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count21
Rotatable Bond Count55
Heavy Atom Count110
Formal Charge0
Complexity3070
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCCN=C(N)N)N
InChI
InChI=1S/C71H124N22O17/c1-11-40(9)56(93-62(103)44(23-16-17-27-72)86-69(110)57(41(10)12-2)92-59(100)43(73)22-18-28-80-70(76)77)68(109)82-35-54(96)83-48(31-38(5)6)63(104)89-50(33-42-20-14-13-15-21-42)65(106)90-51(34-55(97)98)66(107)85-46(25-26-53(74)95)61(102)88-49(32-39(7)8)64(105)91-52(36-94)67(108)84-45(24-19-29-81-71(78)79)60(101)87-47(58(75)99)30-37(3)4/h13-15,20-21,37-41,43-52,56-57,94H,11-12,16-19,22-36,72-73H2,1-10H3,(H2,74,95)(H2,75,99)(H,82,109)(H,83,96)(H,84,108)(H,85,107)(H,86,110)(H,87,101)(H,88,102)(H,89,104)(H,90,106)(H,91,105)(H,92,100)(H,93,103)(H,97,98)(H4,76,77,80)(H4,78,79,81)/t40-,41-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,56-,57-/m0/s1
InChIKey
YBOJYGJMKPMNRC-QRIWDNSUSA-N
Chemical Structure
2D Structure
2D structure of beta-Pompilidotoxin
CAS: 216064-36-7
CID: 90479801
Formula: C71H124N22O17
MW: 1557.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1557.9
XLogP3-4.6
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count21
Rotatable Bond Count55
Exact Mass1556.95148058
Monoisotopic Mass1556.95148058
Topological Polar Surface Area674 Ų
Heavy Atom Count110
Formal Charge0
Complexity3070
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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