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Alloferon 3

CAT: 0013-GTR19224624-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224624-02Size:500 mg
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Description
Alloferon 3 is a natural immunomodulatory peptide that activates the NF-κB signaling pathway, boosting antiviral and antitumor immune recognition. It stimulates endogenous interferon production and upregulates CD25 expression, enhancing immune cell activity. This peptide is utilized in immunological research, including in vitro assays and in vivo studies exploring host defense mechanisms.
CAS Number
347884-63-3
Smiles
CC (C) [C@H] (N) C (=O) N[C@@H] (CO) C (=O) NCC (=O) N[C@@H] (Cc1cnc[nH]1) C (=O) NCC (=O) N[C@@H] (CCC (N) =O) C (=O) N[C@@H] (Cc1cnc[nH]1) C (=O) NCC (=O) N[C@@H] (C (C) C) C (=O) N[C@@H] (Cc1cnc[nH]1) C (O) =O |@@:56|
Molecular Formula
C42H63N17O13
Molecular Weight
1014.072
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Alloferon 3
CAS Number347884-63-3
PubChem CID10170376
IUPAC Name(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
Molecular FormulaC42H63N17O13
Molecular Weight1014.1
XLogP-7.5
Topological Polar Surface Area475
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count17
Rotatable Bond Count31
Heavy Atom Count72
Formal Charge0
Complexity1910
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC2=CN=CN2)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC3=CN=CN3)C(=O)O)N
InChI
InChI=1S/C42H63N17O13/c1-20(2)34(44)40(69)58-29(16-60)38(67)50-14-32(63)55-26(7-22-10-45-17-51-22)36(65)48-13-31(62)54-25(5-6-30(43)61)39(68)56-27(8-23-11-46-18-52-23)37(66)49-15-33(64)59-35(21(3)4)41(70)57-28(42(71)72)9-24-12-47-19-53-24/h10-12,17-21,25-29,34-35,60H,5-9,13-16,44H2,1-4H3,(H2,43,61)(H,45,51)(H,46,52)(H,47,53)(H,48,65)(H,49,66)(H,50,67)(H,54,62)(H,55,63)(H,56,68)(H,57,70)(H,58,69)(H,59,64)(H,71,72)/t25-,26-,27-,28-,29-,34-,35-/m0/s1
InChIKey
BLAHYQDPBVTOGJ-OKFWTXGRSA-N
Chemical Structure
2D Structure
2D structure of Alloferon 3
CAS: 347884-63-3
CID: 10170376
Formula: C42H63N17O13
MW: 1014.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1014.1
XLogP3-7.5
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count17
Rotatable Bond Count31
Exact Mass1013.47912513
Monoisotopic Mass1013.47912513
Topological Polar Surface Area475 Ų
Heavy Atom Count72
Formal Charge0
Complexity1910
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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