AF12198, human type I interleukin receptor antagonist

Key facts

CAS number

185413-30-3

Form

Solid

form

Molecular weight

1895.14 g/mol

Nature

Synthetic

Solubility

Soluble in 3:1 water/acetonitrile to 1 mg/ml

Biological description

Potent and selective antagonist peptide for human type I interleukin-1 receptor (IL1R1) (IC₅₀ values are 8 nM, > 6.7 µM and > 200 µM for hIL1R1,hIL1R2 and hIL1R1, respectively). Blocks IL-1-induced expression of ICAM-1 and reduces IL-1β-induced IL-6 and IL-8 production. Also exhibits anti-inflammatory activity. Active in vivo.

Isomeric smiles

C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@@H](Cc4ccc(cc4)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N5CCC5C(=O)N[C@@H](Cc6ccc(cc6)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N7CCC[C@H]7C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](Cc8c[nH]c9c8cccc9)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)C)O

InChi

1S/C96H123N19O22/c1-51(2)41-69(83(98)124)107-92(133)77-24-16-38-113(77)95(136)75(42-52(3)4)111-84(125)53(5)102-86(127)71(44-57-25-29-61(118)30-26-57)110-93(134)78-37-40-115(78)94(135)68(33-35-79(97)120)106-88(129)72(45-58-27-31-62(119)32-28-58)108-89(130)73(46-59-48-99-65-21-13-11-19-63(59)65)104-80(121)50-101-91(132)76-23-15-39-114(76)96(137)82(54(6)116)112-90(131)74(47-60-49-100-66-22-14-12-20-64(60)66)109-85(126)67(34-36-81(122)123)105-87(128)70(103-55(7)117)43-56-17-9-8-10-18-56/h8-14,17-22,25-32,48-49,51-54,67-78,82,99-100,116,118-119H,15-16,23-24,33-47,50H2,1-7H3,(H2,97,120)(H2,98,124)(H,101,132)(H,102,127)(H,103,117)(H,104,121)(H,105,128)(H,106,129)(H,107,133)(H,108,130)(H,109,126)(H,110,134)(H,111,125)(H,112,131)(H,122,123)/t53-,54+,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78?,82-/m0/s1

InChiKey

VASLMBMCJADVGR-BRPRRQPRSA-N