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MedKoo Cat#: 529922 | Name: PF-4878691

Description:

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

PF-4878691, also known as 3M-852A and IMDZQ, is a TLR7 receptor agonist potentially for the treatment of hematological malignancies and HCV infection.

Chemical Structure

PF-4878691
PF-4878691
CAS#532959-63-0

Theoretical Analysis

MedKoo Cat#: 529922

Name: PF-4878691

CAS#: 532959-63-0

Chemical Formula: C17H23N5O2S

Exact Mass: 361.1600

Molecular Weight: 361.46

Elemental Analysis: C, 56.49; H, 6.41; N, 19.38; O, 8.85; S, 8.87

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
3M-001; 3M-852A; 852A; IMDZQ; PF-04878691; PF-4878691; S-32865; 3M852A; PF-04878691; PF4878691;S32865; 3M 852A; PF 04878691; PF 4878691; S 32865
IUPAC/Chemical Name
N-(4-(4-amino-2-ethyl-1H-imidazo[4,5-c]quinolin-1-yl)butyl)methanesulfonamide
InChi Key
YZOQZEXYFLXNKA-UHFFFAOYSA-N
InChi Code
InChI=1S/C17H23N5O2S/c1-3-14-21-15-16(12-8-4-5-9-13(12)20-17(15)18)22(14)11-7-6-10-19-25(2,23)24/h4-5,8-9,19H,3,6-7,10-11H2,1-2H3,(H2,18,20)
SMILES Code
CS(=O)(NCCCCN1C(CC)=NC2=C1C3=CC=CC=C3N=C2N)=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 361.46 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: Jones HM, Chan PL, van der Graaf PH, Webster R. Use of modelling and simulation techniques to support decision making on the progression of PF-04878691, a TLR7 agonist being developed for hepatitis C. Br J Clin Pharmacol. 2012 Jan;73(1):77-92. doi: 10.1111/j.1365-2125.2011.04047.x. PubMed PMID: 21689140; PubMed Central PMCID: PMC3248258. 2: Perkins H, Khodai T, Mechiche H, Colman P, Burden F, Laxton C, Horscroft N, Corey T, Rodrigues D, Rawal J, Heyen J, Fidock M, Westby M, Bright H. Therapy with TLR7 agonists induces lymphopenia: correlating pharmacology to mechanism in a mouse model. J Clin Immunol. 2012 Oct;32(5):1082-92. doi: 10.1007/s10875-012-9687-y. PubMed PMID: 22476912. 3: Weigel BJ, Cooley S, DeFor T, Weisdorf DJ, Panoskaltsis-Mortari A, Chen W, Blazar BR, Miller JS. Prolonged subcutaneous administration of 852A, a novel systemic toll-like receptor 7 agonist, to activate innate immune responses in patients with advanced hematologic malignancies. Am J Hematol. 2012 Oct;87(10):953-6. doi: 10.1002/ajh.23280. PubMed PMID: 22718533; PubMed Central PMCID: PMC3638918. 4: Geller MA, Cooley S, Argenta PA, Downs LS, Carson LF, Judson PL, Ghebre R, Weigel B, Panoskaltsis-Mortari A, Curtsinger J, Miller JS. Toll-like receptor-7 agonist administered subcutaneously in a prolonged dosing schedule in heavily pretreated recurrent breast, ovarian, and cervix cancers. Cancer Immunol Immunother. 2010 Dec;59(12):1877-84. doi: 10.1007/s00262-010-0914-1. PubMed PMID: 20820775; PubMed Central PMCID: PMC4098785. 5: Dumitru CD, Antonysamy MA, Tomai MA, Lipson KE. Potentiation of the anti-tumor effects of imidazoquinoline immune response modifiers by cyclophosphamide. Cancer Biol Ther. 2010 Jul 15;10(2):155-65. PubMed PMID: 20519933. 6: Hanten JA, Vasilakos JP, Riter CL, Neys L, Lipson KE, Alkan SS, Birmachu W. Comparison of human B cell activation by TLR7 and TLR9 agonists. BMC Immunol. 2008 Jul 24;9:39. doi: 10.1186/1471-2172-9-39. PubMed PMID: 18652679; PubMed Central PMCID: PMC2503978. 7: Astry C, Birmachu W, Harrison LI, Meng TC. Cutaneous pharmacodynamics of a toll-like receptor 7 agonist, 852A, in humans. J Clin Pharmacol. 2008 Jun;48(6):755-62. doi: 10.1177/0091270008314466. PubMed PMID: 18401016. 8: Harrison LI, Astry C, Kumar S, Yunis C. Pharmacokinetics of 852A, an imidazoquinoline Toll-like receptor 7-specific agonist, following intravenous, subcutaneous, and oral administrations in humans. J Clin Pharmacol. 2007 Aug;47(8):962-9. PubMed PMID: 17660481. 9: Inglefield JR, Dumitru CD, Alkan SS, Gibson SJ, Lipson KE, Tomai MA, Larson CJ, Vasilakos JP. TLR7 agonist 852A inhibition of tumor cell proliferation is dependent on plasmacytoid dendritic cells and type I IFN. J Interferon Cytokine Res. 2008 Apr;28(4):253-63. doi: 10.1089/jir.2007.0097. PubMed PMID: 18439103. 10: Dummer R, Hauschild A, Becker JC, Grob JJ, Schadendorf D, Tebbs V, Skalsky J, Kaehler KC, Moosbauer S, Clark R, Meng TC, Urosevic M. An exploratory study of systemic administration of the toll-like receptor-7 agonist 852A in patients with refractory metastatic melanoma. Clin Cancer Res. 2008 Feb 1;14(3):856-64. doi: 10.1158/1078-0432.CCR-07-1938. PubMed PMID: 18245549. 11: Dudek AZ, Yunis C, Harrison LI, Kumar S, Hawkinson R, Cooley S, Vasilakos JP, Gorski KS, Miller JS. First in human phase I trial of 852A, a novel systemic toll-like receptor 7 agonist, to activate innate immune responses in patients with advanced cancer. Clin Cancer Res. 2007 Dec 1;13(23):7119-25. PubMed PMID: 18056192.