MedKoo Cat#: 522493 | Name: CPG-52364

Description:

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

CPG-52364 a small molecule TLR7/8/9 antagonist, has recently completed phase 1 clinical trial for SLE therapy. Toll-like receptors (TLRs) are a family of type I transmembrane receptors and the central components of the innate immune system. Human TLR3, TLR7, TLR8, and TLR9 are expressed on endosomal membranes in the cells and recognize pathogenderived nucleic acid molecular patterns.5 However, recognition of endogenous immune complexes containing self-nucleic acids as PAMPs or DAMPs contributes to certain autoimmune diseases, such as systemic lupus erythematosus (SLE), psoriasis,7 arthritis, and multiple sclerosis.8 Therefore, inhibition of these recognition signals is expected to have therapeutic value.

Chemical Structure

CPG-52364
CPG-52364
CAS#1093135-60-4 (free base)

Theoretical Analysis

MedKoo Cat#: 522493

Name: CPG-52364

CAS#: 1093135-60-4 (free base)

Chemical Formula: C27H36N6O3

Exact Mass: 492.2849

Molecular Weight: 492.62

Elemental Analysis: C, 65.83; H, 7.37; N, 17.06; O, 9.74

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 #
1093135-60-4 (free base) 1093135-62-6 (sulfate)
Synonym
CPG-52364; CPG 52364; CPG52364.
IUPAC/Chemical Name
6,7-dimethoxy-2-(4-(4-methylpiperazin-1-yl)phenyl)-N-(2-morpholinoethyl)quinazolin-4-amine
InChi Key
TUOZJWZCVIRDKO-UHFFFAOYSA-N
InChi Code
InChI=1S/C27H36N6O3/c1-31-10-12-33(13-11-31)21-6-4-20(5-7-21)26-29-23-19-25(35-3)24(34-2)18-22(23)27(30-26)28-8-9-32-14-16-36-17-15-32/h4-7,18-19H,8-17H2,1-3H3,(H,28,29,30)
SMILES Code
CN1CCN(C2=CC=C(C3=NC(NCCN4CCOCC4)=C5C=C(OC)C(OC)=CC5=N3)C=C2)CC1
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, not in water
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
Related CAS# 1093135-60-4 ( CPG-52364 free base); 1093135-62-6 ( CPG-52364 sulfate)

Preparing Stock Solutions

The following data is based on the product molecular weight 492.62 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: Watanabe M, Kasai M, Tomizawa H, Aoki M, Eiho K, Isobe Y, Asano S. Dihydropyrrolo[2,3-d]pyrimidines: Selective Toll-Like Receptor 9 Antagonists from Scaffold Morphing Efforts. ACS Med Chem Lett. 2014 Oct 2;5(11):1235-9. doi: 10.1021/ml5003184. eCollection 2014 Nov 13. PubMed PMID: 25408837; PubMed Central PMCID: PMC4233361. 2: Thanou A, Merrill JT. Treatment of systemic lupus erythematosus: new therapeutic avenues and blind alleys. Nat Rev Rheumatol. 2014 Jan;10(1):23-34. doi: 10.1038/nrrheum.2013.145. Epub 2013 Oct 8. Review. PubMed PMID: 24100460.