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SjDX5-271

CAT: 0804-HY-P10897-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P10897-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SjDX5-271 is a small 3 kDa peptide. SjDX5-271 inhibits the TLR4/MyD88/NF-κB signaling pathway. SjDX5-271 induces cell polarization. SjDX5-271 alleviats hepatic inflammation. SjDX5-271 protects mice against liver ischemia-reperfusion injury[1].
CAS Number
2767993-76-8
UNSPSC
12352209
Target
NF-κB; Toll-like Receptor (TLR)
Related Pathways
Immunology/Inflammation; NF-κB
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology; Cardiovascular Disease
Purity
98.90
Solubility
DMSO : 20 mg/mL (ultrasonic)
Smiles
C([C@H](CC1=CC=CC=C1)NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC2=CC=C(O)C=C2)N)=O)CCCCN)=O)CC(N)=O)=O)CC(C)C)=O)=O)=O)CCC(N)=O)=O)CCC(N)=O)=O)CCC(N)=O)=O)CO)=O)=O)CO)=O)CO)=O)CCC(N)=O)=O)=O)CCC(N)=O)=O)(=O)N3[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)N4[C@H](C(N[C@H](C(N[C@@H](CCC(N)=O)C(O)=O)=O)CCC(N)=O)=O)CCC4)CCCNC(=N)N)=O)CCC(N)=O)=O)CCC(N)=O)=O)CCC(N)=O)=O)CCC(N)=O)=O)CCSC)=O)CCC(N)=O)=O)=O)CO)=O)CCC3
Molecular Formula
C137H215N47O49S
Molecular Weight
3336.52
References & Citations
[1]Xu X, et al. Novel anti-inflammatory peptide alleviates liver ischemia-reperfusion injury. J Biomed Res. 2024 May 29;39 (1) :61-75.
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
Isoform
TLR4

Chemical Information

H-Tyr-Lys-Asn-Leu-Gly-Gly-Gln-Gln-Gln-Ser-Gly-Ser-Ser-Gln-Gly-Gln-Phe-Pro-Ser-Gly-Gln-Met-Gln-Gln-Gln-Gln-Arg-Pro-Gln-Gln-OH
CAS Number2767993-76-8
PubChem CID176455382
IUPAC Name(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC137H215N47O49S
Molecular Weight3336.5
XLogP-27.7
Topological Polar Surface Area1660
Hydrogen Bond Donor Count51
Hydrogen Bond Acceptor Count53
Rotatable Bond Count117
Heavy Atom Count234
Formal Charge0
Complexity8010
SMILES
CC(C)C[C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC4=CC=C(C=C4)O)N
InChI
InChI=1S/C137H215N47O49S/c1-65(2)52-85(177-129(225)86(55-106(152)202)178-117(213)70(14-7-8-47-138)165-112(208)69(139)53-67-18-20-68(189)21-19-67)114(210)157-56-107(203)156-57-108(204)161-72(23-35-95(141)191)118(214)167-75(26-38-98(144)194)121(217)171-80(31-43-103(149)199)127(223)180-88(61-185)115(211)160-60-111(207)164-90(63-187)130(226)181-91(64-188)131(227)166-71(22-34-94(140)190)113(209)158-58-109(205)163-74(25-37-97(143)193)120(216)179-87(54-66-12-5-4-6-13-66)135(231)184-50-11-17-93(184)133(229)182-89(62-186)116(212)159-59-110(206)162-73(24-36-96(142)192)119(215)173-82(46-51-234-3)128(224)172-78(29-41-101(147)197)124(220)169-76(27-39-99(145)195)122(218)168-77(28-40-100(146)196)123(219)170-79(30-42-102(148)198)125(221)175-83(15-9-48-155-137(153)154)134(230)183-49-10-16-92(183)132(228)174-81(32-44-104(150)200)126(222)176-84(136(232)233)33-45-105(151)201/h4-6,12-13,18-21,65,69-93,185-189H,7-11,14-17,22-64,138-139H2,1-3H3,(H2,140,190)(H2,141,191)(H2,142,192)(H2,143,193)(H2,144,194)(H2,145,195)(H2,146,196)(H2,147,197)(H2,148,198)(H2,149,199)(H2,150,200)(H2,151,201)(H2,152,202)(H,156,203)(H,157,210)(H,158,209)(H,159,212)(H,160,211)(H,161,204)(H,162,206)(H,163,205)(H,164,207)(H,165,208)(H,166,227)(H,167,214)(H,168,218)(H,169,220)(H,170,219)(H,171,217)(H,172,224)(H,173,215)(H,174,228)(H,175,221)(H,176,222)(H,177,225)(H,178,213)(H,179,216)(H,180,223)(H,181,226)(H,182,229)(H,232,233)(H4,153,154,155)/t69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-/m0/s1
InChIKey
VWZWABTWYNINMO-VAZRGVEUSA-N
Chemical Structure
2D Structure
2D structure of H-Tyr-Lys-Asn-Leu-Gly-Gly-Gln-Gln-Gln-Ser-Gly-Ser-Ser-Gln-Gly-Gln-Phe-Pro-Ser-Gly-Gln-Met-Gln-Gln-Gln-Gln-Arg-Pro-Gln-Gln-OH
CAS: 2767993-76-8
CID: 176455382
Formula: C137H215N47O49S
MW: 3336.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3336.5
XLogP3-27.7
Hydrogen Bond Donor Count51
Hydrogen Bond Acceptor Count53
Rotatable Bond Count117
Exact Mass3335.5531024
Monoisotopic Mass3334.5497476
Topological Polar Surface Area1660 Ų
Heavy Atom Count234
Formal Charge0
Complexity8010
Isotope Atom Count0
Defined Atom Stereocenter Count25
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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