WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H1050329
CAS#: 1194550-65-6
Description: XBN50656 is a chemical for use in drug synthesis (Lifitegrast). \n
Hodoodo Cat#: H1050329
Name: XBN50656
CAS#: 1194550-65-6
Chemical Formula: C27H27Cl3N2O5S
Exact Mass: 0.00
Molecular Weight: 597.930
Elemental Analysis:
This product is not in stock, which may be available by custom synthesis.
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Synonym: XBN50656; XBN-50656; XBN 50656
IUPAC/Chemical Name: benzyl (S)-2-(5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoate hydrochloride
InChi Key: XFUIUEJMARVNOB-BQAIUKQQSA-N
InChi Code: InChI=1S/C27H26Cl2N2O5S.ClH/c1-37(34,35)20-9-5-8-18(12-20)13-23(27(33)36-16-17-6-3-2-4-7-17)31-26(32)24-22(28)14-19-15-30-11-10-21(19)25(24)29;/h2-9,12,14,23,30H,10-11,13,15-16H2,1H3,(H,31,32);1H/t23-;/m0./s1
SMILES Code: ClC1=C(C(N[C@@H](CC2=CC(S(C)(=O)=O)=CC=C2)C(OCC3=CC=CC=C3)=O)=O)C(Cl)=CC4=C1CCNC4.[H]Cl
Appearance: To be determined
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: 2916.39.79.00
More Info:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 597.93 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 |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |