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IRF5-CPP5

CAT: 0804-HY-P11072-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P11072-01Size:1 mg
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Description
IRF5-CPP5 is a cytosolic peptide that selectively inhibits human IRF5 with IC50 values of 15.4 and 15.3 μM for recombinant S430D or wild-type (WT) IRF5 dimerization, respectively.[1].
CAS Number
1601299-92-6
UNSPSC
12352209
Target
Toll-like Receptor (TLR)
Related Pathways
Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Purity
95.38
Smiles
O=C(NC(C)C(NC(CC(N)=O)C(NC(CC(C)C)C(NCC(NC(CC1=CC=C(C=C1)O)C(NC(CC2=CNC3=CC=CC=C23)C(NC(CC(C)C)C(NC(CC(C)C)C(NC(C)C(NC(CC(C)C)C(NC(CC4=CC=CC=C4)C(NC(C(C)C)C(NC(C(O)C)C(NC(CC5=CC=C(C=C5)O)C(NC(CC6=CNC7=CC=CC=C67)C(NC(C(O)C)C(NC(CC(O)=O)C(NC(CC(C)C)C(NCC(NC(CC(C)C)C(NC(C(C)C)C(NC(CCCCN)C(NC(CCCCN)C(NC(CCCNC(N)=N)C(N8C(CCC8)C(NC(CCCCN)C(N9[C@H](CCC9)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)C(CCSC)N
Molecular Formula
C160H245N37O36S
Molecular Weight
3294.95
References & Citations
[1]Banga J, et al. Inhibition of IRF5 cellular activity with cell-penetrating peptides that target homodimerization. Sci Adv. 2020 May 15;6 (20) :eaay1057.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture)
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Irf5-cpp5
CAS Number1601299-92-6
PubChem CID178348960
IUPAC Name(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
Molecular FormulaC160H245N37O36S
Molecular Weight3294.9
XLogP0.5
Topological Polar Surface Area1190
Hydrogen Bond Donor Count41
Hydrogen Bond Acceptor Count42
Rotatable Bond Count103
Heavy Atom Count234
Formal Charge0
Complexity7510
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)N)O
InChI
InChI=1S/C160H245N37O36S/c1-83(2)66-111(183-147(220)122(77-126(165)202)182-134(207)91(17)173-136(209)104(164)58-65-234-21)137(210)172-82-128(204)176-117(73-96-50-54-100(200)55-51-96)144(217)188-120(75-98-79-169-105-42-27-25-40-102(98)105)146(219)186-116(71-88(11)12)143(216)185-114(69-86(7)8)141(214)174-92(18)135(208)181-115(70-87(9)10)142(215)187-119(72-95-38-23-22-24-39-95)150(223)193-131(90(15)16)154(227)195-133(94(20)199)156(229)190-118(74-97-52-56-101(201)57-53-97)145(218)189-121(76-99-80-170-106-43-28-26-41-103(99)106)151(224)194-132(93(19)198)155(228)191-123(78-129(205)206)148(221)184-112(67-84(3)4)138(211)171-81-127(203)175-113(68-85(5)6)149(222)192-130(89(13)14)153(226)178-108(45-30-33-60-162)139(212)177-107(44-29-32-59-161)140(213)179-110(47-35-62-168-160(166)167)157(230)196-63-36-48-124(196)152(225)180-109(46-31-34-61-163)158(231)197-64-37-49-125(197)159(232)233/h22-28,38-43,50-57,79-80,83-94,104,107-125,130-133,169-170,198-201H,29-37,44-49,58-78,81-82,161-164H2,1-21H3,(H2,165,202)(H,171,211)(H,172,210)(H,173,209)(H,174,214)(H,175,203)(H,176,204)(H,177,212)(H,178,226)(H,179,213)(H,180,225)(H,181,208)(H,182,207)(H,183,220)(H,184,221)(H,185,216)(H,186,219)(H,187,215)(H,188,217)(H,189,218)(H,190,229)(H,191,228)(H,192,222)(H,193,223)(H,194,224)(H,195,227)(H,205,206)(H,232,233)(H4,166,167,168)/t91-,92-,93+,94+,104-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,130-,131-,132-,133-/m0/s1
InChIKey
ALLGJKMDPYLKGV-MCXJSBLFSA-N
Chemical Structure
2D Structure
2D structure of Irf5-cpp5
CAS: 1601299-92-6
CID: 178348960
Formula: C160H245N37O36S
MW: 3294.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight3294.9
XLogP30.5
Hydrogen Bond Donor Count41
Hydrogen Bond Acceptor Count42
Rotatable Bond Count103
Exact Mass3293.8232233
Monoisotopic Mass3292.8198684
Topological Polar Surface Area1190 Ų
Heavy Atom Count234
Formal Charge0
Complexity7510
Isotope Atom Count0
Defined Atom Stereocenter Count28
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes