VRT-043198

蛋白质

L-Prolinamide, N-(4-amino-3-chlorobenzoyl)-3-methyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- | Q27089160 | SCHEMBL8279029 | UNII-Q257O24H4J | MS-28943 | BV165183 | BDBM50602641 | Q257O24H4J | (S)-3-({1-((S)-1-((S)-2-{(1-(4-Amino-3-chlorophenyl)methanoyl)

VRT-043198

V648355-5mg

5mg

≥98%

-20°C储存

超低温冰袋运输

VRT-043198, the agent metabolite of VX-765 (Belnacasan), is a potent, selective and blood-brain barrier permeable inhibitor of interleukin-converting enzyme/caspase-1 subfamily caspases. VRT-043198 exhibits K i values of 0.8 nM and 0.6 nM for ICE/caspase-1 and caspase-4, respectively In Vitro VRT-043198 exhibits 100- to 10,000-fold selectivity against other caspase-3 and -6 to -9. VRT043198 inhibits the release of interleukin (IL)-1β and IL-18, but it has little effect on the release of several other cytokines, including IL-1α, tumor necrosis factor-, IL-6 and IL-8. VRT-043198 inhibited IL-1β release from both PBMCs (n = 8) and whole blood (n = 4) with IC 50 values of 0.67±0.55 and 1.9±0.80 nM, respectively. VRT-043198 lacks potent antiapoptotic activity. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo VX-765 is converted rapidly to VRT-043198 under the action of plasma and liver esterases and also much more slowly in aqueous solution . VX765 reduces disease severity and the expression of inflammatory mediators in models of rheumatoid arthritis and skin inflammation . VX765 (25, 50, 100, or 200 mg/kg) inhibits lipopolysaccharide-induced cytokine secretion . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Naïve male CD-1 mice . Dosage: 25-200 mg/kg. Administration: Oral gavage 1 h before i.v. injection of 2 mg/kg E. coli LPS (strain 0111:B4). Result: Reduced serum IL-1β levels. Form:Solid IC50& Target:Caspase-1 0.8 nM (Ki) Caspase-4 0.6 nM (Ki)

VRT-043198是VX-765（Belnacasan）的代理代谢物，是一种强效、选择性和血脑屏障渗透性的白细胞介素转化酶/天冬酶-1亚家族天冬酶抑制剂。VRT-043198 对 ICE/caspase- 的 K i 值分别为 0.8 nM 和 0.6 nM。

244133-31-1

C22H29ClN4O6

480.9 g/mol

11443029

CC(C)(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)C2=CC(=C(C=C2)N)Cl

(3S)-3-[[(2S)-1-[(2S)-2-[(4-amino-3-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid

1S/C22H29ClN4O6/c1-22(2,3)18(26-19(31)12-6-7-15(24)14(23)9-12)21(33)27-8-4-5-16(27)20(32)25-13(11-28)10-17(29)30/h6-7,9,11,13,16,18H,4-5,8,10,24H2,1-3H3,(H,25,32)(H,26,31)(H,29,30)/t13-,16-,18+/m0/s1

SOZONDBMOYWSRW-QANKJYHBSA-N

CC(C)(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=CC(=C(C=C2)N)Cl

11443029

244133-31-1

(S)-1-((S)-2-1((-(4-amino-3-chloro-phenyl)-methanoyl)-amino)-3,3-dimethyl-butanoyl)-pyrrolidine-2-carboxylic acid ((2R,3S)-2-ethoxy-5-oxo-tetrahydro-furan-3-yl)-amide;(S)-3-((1-((S)-1-((S)-2-((1-(4-amino-3-chlorophenyl)methanoyl)amino)-3,3-dimethyl-butano

DMSO : 180 mg/mL (374.27 mM; Need ultrasonic)

4

7

9

480.178 Da

480.178 Da

159.000 Ų

33

0

770

0

1

1.4