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MedKoo Cat#: 128451 | Name: Cmp2105

Description:

WARNING: This product is for research use only, not for human or veterinary use.

CMP-2105 is a CCR7 antagonist.

Chemical Structure

Cmp2105
Cmp2105
CAS#681514-83-0

Theoretical Analysis

MedKoo Cat#: 128451

Name: Cmp2105

CAS#: 681514-83-0

Chemical Formula: C22H29N5O5S

Exact Mass: 475.1889

Molecular Weight: 475.56

Elemental Analysis: C, 55.56; H, 6.15; N, 14.73; O, 16.82; S, 6.74

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
Cmp2105; CCR7 Ligand 1; CCR7-Cmp2105; Cmp-2105; Cmp 2105
IUPAC/Chemical Name
(R,Z)-3-((4-((2,2-dimethyl-1-(5-methylfuran-2-yl)propyl)imino)-1,1-dioxido-4,5-dihydro-1,2,5-thiadiazol-3-yl)amino)-2-hydroxy-N,N,6-trimethylbenzamide
InChi Key
MAYXLCLBDVEYAL-SFHVURJKSA-N
InChi Code
InChI=1S/C22H29N5O5S/c1-12-8-10-14(17(28)16(12)21(29)27(6)7)23-19-20(26-33(30,31)25-19)24-18(22(3,4)5)15-11-9-13(2)32-15/h8-11,18,28H,1-7H3,(H,23,25)(H,24,26)/t18-/m0/s1
SMILES Code
CC1=C(C(N(C)C)=O)C(O)=C(NC2=NS(=O)(N/C2=N\[C@H](C(C)(C)C)C3=CC=C(C)O3)=O)C=C1
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
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 475.56 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.

Recalculate based on batch purity %
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: Jaeger K, Bruenle S, Weinert T, Guba W, Muehle J, Miyazaki T, Weber M, Furrer A, Haenggi N, Tetaz T, Huang CY, Mattle D, Vonach JM, Gast A, Kuglstatter A, Rudolph MG, Nogly P, Benz J, Dawson RJP, Standfuss J. Structural Basis for Allosteric Ligand Recognition in the Human CC Chemokine Receptor 7. Cell. 2019 Aug 22;178(5):1222-1230.e10. doi: 10.1016/j.cell.2019.07.028. PMID: 31442409; PMCID: PMC6709783. 2: Wurnig SL, Huber ME, Weiler C, Baltrukevich H, Merten N, Stötzel I, Steffen T, Chang Y, Klammer RHL, Baumjohann D, Kiermaier E, Kolb P, Kostenis E, Schiedel M, Hansen FK. A Fluorescent Probe Enables the Discovery of Improved Antagonists Targeting the Intracellular Allosteric Site of the Chemokine Receptor CCR7. J Med Chem. 2025 Feb 12. doi: 10.1021/acs.jmedchem.4c02102. Epub ahead of print. PMID: 39937529.