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Reltecimod

CAT: 0804-HY-P1698-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P1698-02Size:10 mg
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Description
Reltecimod (AB-103) is a T-cell-specific surface glycoprotein CD28 (TP44) antagonist. Reltecimod has beneficial effects against different bacterial infections, their exotoxins and endotoxins, and ionizing radiation. Reltecimod modulates the inflammatory response by targeting and attenuating the critical CD28/B7-2 co-stimulatory pathway, without inhibiting it. Reltecimod can be used to research necrotizing soft-tissue infections (NSTIs) [1][2].
CAS Number
1447799-33-8
Product Name Alternative
AB-103
UNSPSC
12352209
Target
Bacterial; CD28
Type
Peptides
Related Pathways
Anti-infection; Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Infection; Inflammation/Immunology; Cancer
Assay Protocol
https://www.medchemexpress.com/reltecimod.html
Purity
99.88
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
OC(C=C1)=CC=C1C[C@@H](C(N[C@@H](CC(O)=O)C(N[C@H](C)C(O)=O)=O)=O)NC([C@H](C)NC([C@H](C(C)C)NC([C@H](CC(C)C)NC([C@H](CCSC)NC([C@H]2N(CCC2)C([C@H](CO)NC([C@H](N)C)=O)=O)=O)=O)=O)=O)=O
Molecular Formula
C46H72N10O15S
Molecular Weight
1037.19
References & Citations
[1]Shirvan, A., et al. Reltecimod. T-cell-specific surface glycoprotein CD28 (TP44) antagonist, CD28 homodimer interface mimetic peptide, Treatment of necrotizing soft-tissue infection. Drugs Fut 2018, 43 (4) : 243|[2]Edgar, R., Tarrio, M.L., Maislin, G. et al. Treatment with One Dose of Reltecimod is Superior to Two Doses in Mouse Models of Lethal Infection. Int J Pept Res Ther 26, 1669–1683 (2020) .
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
Phase 3

Chemical Information

Reltecimod

Reltecimod is under investigation in clinical trial NCT02469857 (Phase III Efficacy and Safety Study of AB103 in the Treatment of Patients With Necrotizing Soft Tissue Infections).

CAS Number1447799-33-8
PubChem CID71652162
IUPAC Name(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-[[(1R)-1-carboxyethyl]amino]-4-oxobutanoic acid
Molecular FormulaC46H72N10O15S
Molecular Weight1037.2
XLogP-2.7
Topological Polar Surface Area419
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count17
Rotatable Bond Count29
Heavy Atom Count72
Formal Charge0
Complexity1920
SMILES
C[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)O)N
InChI
InChI=1S/C46H72N10O15S/c1-22(2)18-30(52-39(63)29(15-17-72-8)50-43(67)34-10-9-16-56(34)45(69)33(21-57)54-37(61)24(5)47)42(66)55-36(23(3)4)44(68)48-25(6)38(62)51-31(19-27-11-13-28(58)14-12-27)41(65)53-32(20-35(59)60)40(64)49-26(7)46(70)71/h11-14,22-26,29-34,36,57-58H,9-10,15-21,47H2,1-8H3,(H,48,68)(H,49,64)(H,50,67)(H,51,62)(H,52,63)(H,53,65)(H,54,61)(H,55,66)(H,59,60)(H,70,71)/t24-,25+,26-,29+,30+,31+,32+,33+,34+,36+/m1/s1
InChIKey
VRNHFZYMPDKTBS-WYUJEMNCSA-N
Chemical Structure
2D Structure
2D structure of Reltecimod
CAS: 1447799-33-8
CID: 71652162
Formula: C46H72N10O15S
MW: 1037.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1037.2
XLogP3-2.7
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count17
Rotatable Bond Count29
Exact Mass1036.48993280
Monoisotopic Mass1036.48993280
Topological Polar Surface Area419 Ų
Heavy Atom Count72
Formal Charge0
Complexity1920
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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