WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 555307
CAS#: 2209073-52-7 (HCl)
Description: 4-Me-PDTic is a potent and selective Kappa Opioid Receptor Antagonist. 4-Me-PDTic had a Ke = 0.37 nM in a [35S]GTPγS binding assay and was 645- and >8100-fold selective for the κ relative to the μ and δ opioid receptors, respectively. Calculated logBB and CNS (central nervous system) multiparameter optimization (MPO) and low molecular weight values all predict that 4-Me-PDTic will penetrate the brain and pharmacokinetic studies in rats shows that 4-Me-PDTic does indeed penetrate the brain.
MedKoo Cat#: 555307
Name: 4-Me-PDTic HCl
CAS#: 2209073-52-7 (HCl)
Chemical Formula: C21H35Cl2N3O2
Exact Mass:
Molecular Weight: 432.43
Elemental Analysis: C, 58.33; H, 8.16; Cl, 16.40; N, 9.72; O, 7.40
This product is not in stock, which may be available by custom synthesis.
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Related CAS #: 2209073-31-2 (free base) 2209073-52-7 (HCl)
Synonym: 4-Me-PDTic HCl; 4-Me-PDTic hydrochloride
IUPAC/Chemical Name: (3R)-7-Hydroxy-N-{(1S)-2-methyl-1-[(4-methylpiperidin-1-yl)-methyl]propyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Dihydrochloride
InChi Key: UDTZTCZUETYIOL-WUMQWIPTSA-N
InChi Code: InChI=1S/C21H33N3O2.2ClH/c1-14(2)20(13-24-8-6-15(3)7-9-24)23-21(26)19-11-16-4-5-18(25)10-17(16)12-22-19;;/h4-5,10,14-15,19-20,22,25H,6-9,11-13H2,1-3H3,(H,23,26);2*1H/t19-,20-;;/m1../s1
SMILES Code: O=C([C@@H]1NCC2=C(C=CC(O)=C2)C1)N[C@H](CN3CCC(C)CC3)C(C)C.[H]Cl.[H]Cl
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: >3 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: 2934.99.03.00
The following data is based on the product molecular weight 432.43 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 |
1: Ondachi PW, Kormos CM, Runyon SP, Thomas JB, Mascarella SW, Decker AM, Navarro
HA, Fennell TR, Snyder RW, Carroll FI. Potent and Selective
Tetrahydroisoquinoline Kappa Opioid Receptor Antagonists of Lead Compound
(3R)-7-Hydroxy-N-[(1S)-2-methyl-1-(piperidin-1-ylmethyl)propyl]-1,2,3,4-tetrahydr
oisoquinoline-3-carboxamide (PDTic). J Med Chem. 2018 Aug 17. doi:
10.1021/acs.jmedchem.8b00673. [Epub ahead of print] PubMed PMID: 30117738.
