WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: 125653
CAS#: N/A
Description: VCP-171 is an A1AR PAM
Hodoodo Cat#: 125653
Name: VCP-171
CAS#: N/A
Chemical Formula: C18H12F3NOS
Exact Mass: 347.06
Molecular Weight: 347.360
Elemental Analysis: C, 62.24; H, 3.48; F, 16.41; N, 4.03; O, 4.61; S, 9.23
This product is not in stock, which may be available by custom synthesis.
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Synonym: VCP-171; VCP 171; VCP171
IUPAC/Chemical Name: (2-amino-4-(3-(trifluoromethyl)phenyl)thiophen-3-yl)(phenyl)methanone
InChi Key: HNHLVOBHWXLIGP-UHFFFAOYSA-N
InChi Code: InChI=1S/C18H12F3NOS/c19-18(20,21)13-8-4-7-12(9-13)14-10-24-17(22)15(14)16(23)11-5-2-1-3-6-11/h1-10H,22H2
SMILES Code: [H]C1=CC(C(F)(F)F)=CC(C2=CSC(N)=C2C(C3=CC=C([H])C=C3)=O)=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:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 347.36 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 |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
1: Miao Y, Bhattarai A, Nguyen ATN, Christopoulos A, May LT. Structural Basis
for Binding of Allosteric Drug Leads in the Adenosine A1 Receptor.
Sci Rep. 2018 Nov 15;8(1):16836. doi: 10.1038/s41598-018-35266-x. PMID:
30442899; PMCID: PMC6237911.
2: Deganutti G, Barkan K, Ladds G, Reynolds CA. Multisite Model of Allosterism
for the Adenosine A1 Receptor. J Chem Inf Model. 2021 Apr 26;61(4):2001-2015.
doi: 10.1021/acs.jcim.0c01331. Epub 2021 Mar 29. PMID: 33779168.
3: Cooper SL, Soave M, Jörg M, Scammells PJ, Woolard J, Hill SJ. Probe
dependence of allosteric enhancers on the binding affinity of adenosine
A1 -receptor agonists at rat and human A1 -receptors
measured using NanoBRET. Br J Pharmacol. 2019 Apr;176(7):864-878. doi:
10.1111/bph.14575. Epub 2019 Mar 6. PMID: 30644086; PMCID: PMC6433648.
4: Nguyen AT, Vecchio EA, Thomas T, Nguyen TD, Aurelio L, Scammells PJ, White
PJ, Sexton PM, Gregory KJ, May LT, Christopoulos A. Role of the Second
Extracellular Loop of the Adenosine A1 Receptor on Allosteric Modulator Binding,
Signaling, and Cooperativity. Mol Pharmacol. 2016 Dec;90(6):715-725. doi:
10.1124/mol.116.105015. Epub 2016 Sep 28. PMID: 27683013.
5: Imlach WL, Bhola RF, May LT, Christopoulos A, Christie MJ. A Positive
Allosteric Modulator of the Adenosine A1 Receptor Selectively Inhibits Primary
Afferent Synaptic Transmission in a Neuropathic Pain Model. Mol Pharmacol. 2015
Sep;88(3):460-8. doi: 10.1124/mol.115.099499. Epub 2015 Jun 23. PMID: 26104547.
