Reltecimod

CAT: 0804-HY-P1698-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-P1698-01Size:5 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 Number	1447799-33-8
PubChem CID	71652162
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 Formula	C46H72N10O15S
Molecular Weight	1037.2
XLogP	-2.7
Topological Polar Surface Area	419
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	29
Heavy Atom Count	72
Formal Charge	0
Complexity	1920

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

CAS: 1447799-33-8

CID: 71652162

Formula: C46H72N10O15S

MW: 1037.2

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1037.2
XLogP3	-2.7
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	29
Exact Mass	1036.48993280
Monoisotopic Mass	1036.48993280
Topological Polar Surface Area	419 Å²
Heavy Atom Count	72
Formal Charge	0
Complexity	1920
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
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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