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Pepinh-MYD

CAT: 0804-HY-P10719-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P10719-01Size:1 mg
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Description
Pepinh-MYD is a MyD88 inhibitor that contains a domain sequence from MyD88 TIR and a protein transduction sequence, enabling it to penetrate the cell membrane. Pepinh-MYD interferes with MyD88-mediated TLR signaling pathways, thereby inhibiting related immune responses. It holds potential for studying the role of MyD88 in viral infections[1].
CAS Number
1421052-89-2
UNSPSC
12352209
Target
MyD88
Type
Peptides
Related Pathways
Immunology/Inflammation
Applications
COVID-19-anti-virus
Field of Research
Infection; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/pepinh-myd.html
Purity
96.87
Smiles
O=C(N[C@@H](CCC(N)=O)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CCCCN)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CC1=CNC2=CC=CC=C12)C(N[C@@H](CC3=CC=CC=C3)C(N[C@@H](CCC(N)=O)C(N[C@@H](CC(N)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCSC)C(N[C@@H](CCCCN)C(N[C@@H](CC4=CNC5=CC=CC=C45)C(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(O)=O)C(N[C@@H](C(C)C)C(N[C@@H](CC(C)C)C(N6[C@@H](CCC6)C(NCC(N[C@@H]([C@H](O)C)C(N[C@@H](CS)C(N[C@@H](C(C)C)C(N[C@@H](CC(N)=O)C(N[C@@H](CO)C(N)=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@H](CCCNC(N)=N)N
Molecular Formula
C151H248N50O35S2
Molecular Weight
3388.03
References & Citations
[1]Takaki H, et al. The MyD88 pathway in plasmacytoid and CD4+ dendritic cells primarily triggers type I IFN production against measles virus in a mouse infection model. J Immunol. 2013 Nov 1;191 (9) :4740-7.
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

H-Arg-Gln-Ile-Lys-Ile-Trp-Phe-Gln-Asn-Arg-Arg-Met-Lys-Trp-Lys-Lys-Arg-Asp-Val-Leu-Pro-Gly-Thr-Cys-Val-Asn-Ser-NH2
CAS Number1421052-89-2
PubChem CID172653524
IUPAC Name(3S)-3-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[(2S)-2-[[2-[[(2S,3R)-1-[[(2R)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Molecular FormulaC151H248N50O35S2
Molecular Weight3388.0
XLogP-11
Topological Polar Surface Area1480
Hydrogen Bond Donor Count53
Hydrogen Bond Acceptor Count46
Rotatable Bond Count120
Heavy Atom Count238
Formal Charge0
Complexity7730
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N6CCC[C@H]6C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)N
InChI
InChI=1S/C151H248N50O35S2/c1-13-80(9)119(200-133(222)99(51-53-112(158)205)177-123(212)88(156)39-30-59-170-148(162)163)144(233)186-94(45-25-29-58-155)132(221)199-120(81(10)14-2)145(234)191-103(68-85-73-175-90-41-21-19-38-87(85)90)136(225)187-101(66-83-35-16-15-17-36-83)134(223)184-98(50-52-111(157)204)130(219)189-104(69-113(159)206)137(226)183-96(47-32-61-172-150(166)167)126(215)180-95(46-31-60-171-149(164)165)127(216)185-100(54-64-238-12)131(220)179-93(44-24-28-57-154)128(217)188-102(67-84-72-174-89-40-20-18-37-86(84)89)135(224)182-92(43-23-27-56-153)125(214)178-91(42-22-26-55-152)124(213)181-97(48-33-62-173-151(168)169)129(218)190-106(71-116(209)210)139(228)197-118(79(7)8)143(232)193-107(65-77(3)4)147(236)201-63-34-49-110(201)141(230)176-74-115(208)196-121(82(11)203)146(235)195-109(76-237)140(229)198-117(78(5)6)142(231)192-105(70-114(160)207)138(227)194-108(75-202)122(161)211/h15-21,35-38,40-41,72-73,77-82,88,91-110,117-121,174-175,202-203,237H,13-14,22-34,39,42-71,74-76,152-156H2,1-12H3,(H2,157,204)(H2,158,205)(H2,159,206)(H2,160,207)(H2,161,211)(H,176,230)(H,177,212)(H,178,214)(H,179,220)(H,180,215)(H,181,213)(H,182,224)(H,183,226)(H,184,223)(H,185,216)(H,186,233)(H,187,225)(H,188,217)(H,189,219)(H,190,218)(H,191,234)(H,192,231)(H,193,232)(H,194,227)(H,195,235)(H,196,208)(H,197,228)(H,198,229)(H,199,221)(H,200,222)(H,209,210)(H4,162,163,170)(H4,164,165,171)(H4,166,167,172)(H4,168,169,173)/t80-,81-,82+,88-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,117-,118-,119-,120-,121-/m0/s1
InChIKey
VLPWZWVIQKTTRY-XCELGJADSA-N
Chemical Structure
2D Structure
2D structure of H-Arg-Gln-Ile-Lys-Ile-Trp-Phe-Gln-Asn-Arg-Arg-Met-Lys-Trp-Lys-Lys-Arg-Asp-Val-Leu-Pro-Gly-Thr-Cys-Val-Asn-Ser-NH2
CAS: 1421052-89-2
CID: 172653524
Formula: C151H248N50O35S2
MW: 3388.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3388.0
XLogP3-11
Hydrogen Bond Donor Count53
Hydrogen Bond Acceptor Count46
Rotatable Bond Count120
Exact Mass3386.8638170
Monoisotopic Mass3385.8604621
Topological Polar Surface Area1480 Ų
Heavy Atom Count238
Formal Charge0
Complexity7730
Isotope Atom Count0
Defined Atom Stereocenter Count29
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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