For research use only. Not for therapeutic Use.
(Rac)-BIO8898 is a CD40-CD154 co-stimulatory interaction inhibitor. (Rac)-BIO8898 inhibits CD154 binding to CD40-Ig with an IC50 of 25 μM[1].
| Catalog Number | I044117 |
| CAS Number | 402564-79-8 |
| Synonyms | 2-cyclohexyl-2-[[4-[2-[(3-phenylphenyl)methylcarbamoyl]-6-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]pyridin-4-yl]-6-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]pyridine-2-carbonyl]amino]acetic acid |
| Molecular Formula | C53H64N8O6 |
| Purity | ≥95% |
| InChI | InChI=1S/C53H64N8O6/c62-49(54-33-36-14-11-19-39(28-36)37-15-3-1-4-16-37)44-29-40(31-46(55-44)51(64)60-26-12-20-42(60)34-58-22-7-8-23-58)41-30-45(50(63)57-48(53(66)67)38-17-5-2-6-18-38)56-47(32-41)52(65)61-27-13-21-43(61)35-59-24-9-10-25-59/h1,3-4,11,14-16,19,28-32,38,42-43,48H,2,5-10,12-13,17-18,20-27,33-35H2,(H,54,62)(H,57,63)(H,66,67) |
| InChIKey | WJYLSDLKLWXYML-UHFFFAOYSA-N |
| SMILES | C1CCC(CC1)C(C(=O)O)NC(=O)C2=NC(=CC(=C2)C3=CC(=NC(=C3)C(=O)N4CCCC4CN5CCCC5)C(=O)NCC6=CC(=CC=C6)C7=CC=CC=C7)C(=O)N8CCCC8CN9CCCC9 |
| Reference | [1]. Laura F Silvian, et al. Small molecule inhibition of the TNF family cytokine CD40 ligand through a subunit fracture mechanism. ACS Chem Biol. 2011 Jun 17;6(6):636-47. |
