Description
Key facts
CAS number:273404-37-8,
Purity:>98%,
Form:SolidSee storage information,
Molecular weight:509 Da,
Molecular formula:C24H33ClN4O6,
PubChem:11398092,
Nature:Synthetic,
Solubility:Soluble in DMSO to 50 mMSoluble in ethanol to 50 mM,
Biochemical name:Belnacasan,
Biological description:Potent and selective inhibitor against caspase-1 with Ki of 0.8 nM. Orally absorbed. Also inhibits IL-1β release from both PBMCs and whole blood with IC50 of 0.67 μM and 1.9 μM, in vitro. Inhibits LPS-induced IL-1β production in collagen-induced arthritis mouse model, in vivo.,
Canonical smiles:CCOC1C(CC(=O)O1)NC(=O)C2CCCN2C(=O)C(C(C)(C)C)NC(=O)C3=CC(=C(C=C3)N)Cl,
Isomeric smiles:CCO[C@H]1[C@H](CC(=O)O1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC(=C(C=C3)N)Cl,
InChi:InChI=1S/C24H33ClN4O6/c1-5-34-23-16(12-18(30)35-23)27-21(32)17-7-6-10-29(17)22(33)19(24(2,3)4)28-20(31)13-8-9-15(26)14(25)11-13/h8-9,11,16-17,19,23H,5-7,10,12,26H2,1-4H3,(H,27,32)(H,28,31)/t16-,17-,19+,23+/m0/s1,
InChiKey:SJDDOCKBXFJEJB-MOKWFATOSA-N,
IUPAC Name:(2S)-1-[(2S)-2-[(4-amino-3-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide
Properties and Storage Information:
Shipped at conditions-Ambient - Can Ship with Ice, Appropriate short-term storage conditions--20°C, Appropriate long-term storage conditions--20°C
