Alloferon 3

CAT: 0931-T25050-02Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0931-T25050-02Size:500 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

347884-63-3

Target

Others

Related Pathways

Others

Bioactivity

Alloferon 3 is a natural peptide that mediates signaling by the NF-kappa B pathway to enhance the recognition of viral and tumor antigens. It is known to induce the production of endogenic interferons that promote a cascade of defense responses and also enhance CD25 receptor expression.

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Alloferon 3

CAS Number	347884-63-3
PubChem CID	10170376
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 Formula	C42H63N17O13
Molecular Weight	1014.1
XLogP	-7.5
Topological Polar Surface Area	475
Hydrogen Bond Donor Count	16
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	31
Heavy Atom Count	72
Formal Charge	0
Complexity	1910

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

CAS: 347884-63-3

CID: 10170376

Formula: C42H63N17O13

MW: 1014.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1014.1
XLogP3	-7.5
Hydrogen Bond Donor Count	16
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	31
Exact Mass	1013.47912513
Monoisotopic Mass	1013.47912513
Topological Polar Surface Area	475 Å²
Heavy Atom Count	72
Formal Charge	0
Complexity	1910
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
H-5872.0005	Alloferon 2
MBS8246045-01	Alloferon 1
MBS5774788	Alloferon 3
FA13240-01	Alloferon trifluoroacetate
GTR18889754	Alloferon 2 peptide

Alloferon 3

Chemical Information

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