MedKoo Cat#: 530665 | Name: CBS-3595

Description:

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

CBS-3595 is a potent and Dual p38α MAPK/PDE-4 Inhibitor with Activity against TNFα -related Diseases. CBS-3595 displayed a superior profile regarding its anti-inflammatory effects. CBS-3595 features moderate inhibition of p38α MAPK and PDE-4 in the higher nanomolar range in combination with excellent kinetic properties and low plasma protein binding contributing to the outstanding results of the efficacy experiments performed in animal models and humans. The inhibition of TNFα release was achieved at dose levels and systemic concentrations that were well below levels related to toxicity. CBS-3595 is considered as a candidate drug for the treatment of diseases related to an overproduction of TNFα.

Chemical Structure

CBS-3595
CBS-3595
CAS#908380-97-2

Theoretical Analysis

MedKoo Cat#: 530665

Name: CBS-3595

CAS#: 908380-97-2

Chemical Formula: C18H17FN4O2S

Exact Mass: 372.1056

Molecular Weight: 372.42

Elemental Analysis: C, 58.05; H, 4.60; F, 5.10; N, 15.04; O, 8.59; S, 8.61

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 #
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Synonym
CBS-3595; CBS 3595; CBS3595.
IUPAC/Chemical Name
N-{4-[5-(4-Fluoro-phenyl)-3-methyl-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-yl}-acetamide
InChi Key
DRMJRHUMYBYDIX-UHFFFAOYSA-N
InChi Code
InChI=1S/C18H17FN4O2S/c1-11(24)21-15-10-13(8-9-20-15)17-16(12-4-6-14(19)7-5-12)22-18(23(17)2)26(3)25/h4-10H,1-3H3,(H,20,21,24)
SMILES Code
CC(NC1=NC=CC(C2=C(C3=CC=C(F)C=C3)N=C(S(C)=O)N2C)=C1)=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
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 372.42 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: Albrecht W, Unger A, Bauer SM, Laufer SA. Discovery of N-{4-[5-(4-Fluoro-phenyl)-3-methyl-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-y l}-acetamide (CBS-3595), a Dual p38α MAPK/PDE-4 Inhibitor with Activity against TNFα -related Diseases. J Med Chem. 2017 Jun 14. doi: 10.1021/acs.jmedchem.6b01647. [Epub ahead of print] PubMed PMID: 28613871. 2: Koch DA, Silva RB, de Souza AH, Leite CE, Nicoletti NF, Campos MM, Laufer S, Morrone FB. Efficacy and gastrointestinal tolerability of ML3403, a selective inhibitor of p38 MAP kinase and CBS-3595, a dual inhibitor of p38 MAP kinase and phosphodiesterase 4 in CFA-induced arthritis in rats. Rheumatology (Oxford). 2014 Mar;53(3):425-32. doi: 10.1093/rheumatology/ket369. Epub 2013 Nov 15. PubMed PMID: 24241037.