Synonym
CU CPT 4a; CUCPT4a; CU-CPT-4a; CU-CPT 4a; CU-CPT4a; TLR3-IN-1
IUPAC/Chemical Name
N-[(3-Chloro-6-fluorobenzo[b]thien-2-yl)carbonyl]-D-phenylalanine
InChi Key
IAASQMCXDRISAV-CYBMUJFWSA-N
InChi Code
InChI=1S/C18H13ClFNO3S/c19-15-12-7-6-11(20)9-14(12)25-16(15)17(22)21-13(18(23)24)8-10-4-2-1-3-5-10/h1-7,9,13H,8H2,(H,21,22)(H,23,24)/t13-/m1/s1
SMILES Code
O=C(O)[C@@H](CC1=CC=CC=C1)NC(C2=C(Cl)C3=CC=C(F)C=C3S2)=O
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
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
377.81
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 |
1: Ferreira RCM, Raposo MMM, Costa SPG. Novel alanines bearing a heteroaromatic side chain: synthesis and studies on fluorescent chemosensing of metal cations with biological relevance. Amino Acids. 2018 Jun;50(6):671-684. doi: 10.1007/s00726-018-2549-z. Epub 2018 Mar 12. PubMed PMID: 29527634.
2: Ogbeide KO, Mujeeb-Ur-Rehman, Owolabi JB, Falodun A, Choudhary MI, Yousuf S. Crystal structure and Hirshfeld surface analysis of pulcherrin J. Acta Crystallogr E Crystallogr Commun. 2017 Sep 29;73(Pt 10):1572-1575. doi: 10.1107/S2056989017011239. eCollection 2017 Oct 1. PubMed PMID: 29250384; PubMed Central PMCID: PMC5730321.
3: Perdih F. Cu(II) and Zn(II) β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane. Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016 Dec 1;72(Pt 6):828-835. Epub 2016 Nov 5. PubMed PMID: 27910833.
4: Budzisz E, Miernicka M, Lorenz IP, Mayer P, Balcerczak E, Krajewska U, Rozalski M. Synthesis, X-ray structures and cytotoxic activity of platinum(II), palladium(II) and copper(II) complexes with chelating ligands. Eur J Med Chem. 2010 Jun;45(6):2613-21. doi: 10.1016/j.ejmech.2010.02.050. Epub 2010 Mar 1. PubMed PMID: 20303625.
5: Fun HK, Quah CK, Chantrapromma S. Redetermination and absolute configuration of 6-hydroxy-salvinolone. Acta Crystallogr Sect E Struct Rep Online. 2009 Dec 16;66(Pt 1):o146-7. doi: 10.1107/S1600536809053197. PubMed PMID: 21580037; PubMed Central PMCID: PMC2980087.
6: Seidel WW, Meel MJ, Radius U, Schaffrath M, Pape T. On the prospects of polynuclear complexes with acetylenedithiolate bridging units. Inorg Chem. 2007 Nov 12;46(23):9616-29. Epub 2007 Oct 18. PubMed PMID: 17944460.
7: Chaudhuri P, Verani CN, Bill E, Bothe E, Weyhermüller T, Wieghardt K. Electronic structure of bis(o-iminobenzosemiquinonato)metal complexes (Cu, Ni, Pd). The art of establishing physical oxidation states in transition-metal complexes containing radical ligands. J Am Chem Soc. 2001 Mar 14;123(10):2213-23. PubMed PMID: 11456867.
