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Buforin II

CAT: 0804-HY-P1630-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P1630-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Buforin II, derived from buforin I, a protein isolated from the stomach of the Asian toad Bufo bufo gargarizans, is a potent antimicrobial peptide. Buforin II has antimicrobial activity against a broad spectrum of Gram-positive and Gram-negative bacteria[1].
CAS Number
172998-24-2
UNSPSC
12352209
Target
Bacterial
Type
Peptides
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/buforin-ii.html
Purity
98.61
Solubility
H2O : 100 mg/mL (ultrasonic)
Smiles
NCCCC[C@@H](C(O)=O)NC([C@H](CCCNC(N)=N)NC([C@H](CC(C)C)NC([C@H](CC(C)C)NC([C@H](CCCNC(N)=N)NC([C@H](CC1=CNC=N1)NC([C@H](C(C)C)NC([C@H](CCCNC(N)=N)NC(CNC([C@H](C(C)C)NC([C@H]2N(C([C@H](CC3=CC=CC=C3)NC([C@H](CCC(N)=O)NC([C@H](CC(C)C)NC(CNC([C@H](C)NC([C@H](CCCNC(N)=N)NC([C@H](CO)NC([C@H](CO)NC([C@H](CCCNC(N)=N)NC([C@H]([C@H](O)C)N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)CCC2)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O
Molecular Formula
C106H184N40O26
Molecular Weight
2434.85
References & Citations
[1]Oscar Cirioni, et al. Therapeutic efficacy of buforin II and rifampin in a rat model of Acinetobacter baumannii sepsis. Crit Care Med. 2009 Apr;37 (4) :1403-7.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture and light, under nitrogen)
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Thr-Arg-Ser-Ser-Arg-Ala-Gly-Leu-Gln-Phe-Pro-Val-Gly-Arg-Val-His-Arg-Leu-Leu-Arg-Lys
CAS Number172998-24-2
PubChem CID16130573
IUPAC Name(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoic acid
Molecular FormulaC97H175N39O25
Molecular Weight2287.7
XLogP-10.9
Topological Polar Surface Area1080
Hydrogen Bond Donor Count41
Hydrogen Bond Acceptor Count33
Rotatable Bond Count83
Heavy Atom Count161
Formal Charge0
Complexity4910
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O)N)O
InChI
InChI=1S/C97H175N39O25/c1-47(2)37-62(122-71(142)42-117-75(143)52(11)120-76(144)56(23-16-32-113-94(103)104)125-85(153)66(44-137)133-86(154)67(45-138)132-79(147)59(26-19-35-116-97(109)110)126-88(156)72(100)53(12)139)81(149)127-60(28-29-69(99)140)91(159)136-36-20-27-68(136)87(155)135-73(50(7)8)89(157)118-43-70(141)121-55(22-15-31-112-93(101)102)80(148)134-74(51(9)10)90(158)131-65(40-54-41-111-46-119-54)84(152)124-58(25-18-34-115-96(107)108)78(146)129-64(39-49(5)6)83(151)130-63(38-48(3)4)82(150)123-57(24-17-33-114-95(105)106)77(145)128-61(92(160)161)21-13-14-30-98/h41,46-53,55-68,72-74,137-139H,13-40,42-45,98,100H2,1-12H3,(H2,99,140)(H,111,119)(H,117,143)(H,118,157)(H,120,144)(H,121,141)(H,122,142)(H,123,150)(H,124,152)(H,125,153)(H,126,156)(H,127,149)(H,128,145)(H,129,146)(H,130,151)(H,131,158)(H,132,147)(H,133,154)(H,134,148)(H,135,155)(H,160,161)(H4,101,102,112)(H4,103,104,113)(H4,105,106,114)(H4,107,108,115)(H4,109,110,116)/t52-,53+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,72-,73-,74-/m0/s1
InChIKey
LWUHOMXMYZUNOI-SJQMMDBASA-N
Chemical Structure
2D Structure
2D structure of Thr-Arg-Ser-Ser-Arg-Ala-Gly-Leu-Gln-Phe-Pro-Val-Gly-Arg-Val-His-Arg-Leu-Leu-Arg-Lys
CAS: 172998-24-2
CID: 16130573
Formula: C97H175N39O25
MW: 2287.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2287.7
XLogP3-10.9
Hydrogen Bond Donor Count41
Hydrogen Bond Acceptor Count33
Rotatable Bond Count83
Exact Mass2287.3654871
Monoisotopic Mass2286.3621322
Topological Polar Surface Area1080 Ų
Heavy Atom Count161
Formal Charge0
Complexity4910
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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