WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 465546
Description: YWN-00640 is a novel inhibitor of PD-1/PD-L1 (IC50 value of 56.58 nM), dose-dependently promoting HepG2 cell death in a co-culture model of HepG2/hPD-L1 and Jurkat T cells, effectively inhibiting tumor growth (TGI of 76.4% at 90 mg/kg) in an immune checkpoint humanized mouse model with no obvious toxicity.
MedKoo Cat#: 465546
Chemical Formula: C35H33ClF3NO5
Exact Mass: 639.1999
Molecular Weight: 640.0962
Elemental Analysis: C, 65.68; H, 5.20; Cl, 5.54; F, 8.90; N, 2.19; O, 12.50
This product is not in stock, which may be available by custom synthesis.
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Synonym: YWN-00640; YWN00640; YWN 00640; PD-1/PD-L1 inhibitor CH1;
IUPAC/Chemical Name: (R)-1-(5-chloro-4-((2-methyl-[1,1'-biphenyl]-3-yl)methoxy)-2-((4-(trifluoromethoxy)benzyl)oxy)benzyl)piperidine-2-carboxylic acid
InChi Key: YWCCHIWRNJHZEW-WJOKGBTCSA-N
InChi Code: InChI=1S/C35H33ClF3NO5/c1-23-26(10-7-11-29(23)25-8-3-2-4-9-25)22-44-33-19-32(43-21-24-13-15-28(16-14-24)45-35(37,38)39)27(18-30(33)36)20-40-17-6-5-12-31(40)34(41)42/h2-4,7-11,13-16,18-19,31H,5-6,12,17,20-22H2,1H3,(H,41,42)/t31-/m1/s1
SMILES Code: O=C([C@@H]1N(CC2=CC(Cl)=C(OCC3=C(C)C(C4=CC=CC=C4)=CC=C3)C=C2OCC5=CC=C(OC(F)(F)F)C=C5)CCCC1)O
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 640.0962 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
|Concentration / Solvent Volume / Mass||1 mg||5 mg||10 mg|
|1 mM||1.15 mL||5.76 mL||11.51 mL|
|5 mM||0.23 mL||1.15 mL||2.3 mL|
|10 mM||0.12 mL||0.58 mL||1.15 mL|
|50 mM||0.02 mL||0.12 mL||0.23 mL|