WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 564825
CAS#: 2209073-31-2 (free base)
Description: 4-Me-PDTic is a potent and selective kappa opioid receptor antagonist.
MedKoo Cat#: 564825
Name: 4-Me-PDTic
CAS#: 2209073-31-2 (free base)
Chemical Formula: C21H33N3O2
Exact Mass: 359.2573
Molecular Weight: 359.51
Elemental Analysis: C, 70.16; H, 9.25; N, 11.69; O, 8.90
This product is not in stock, which may be available by custom synthesis.
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Related CAS #: 2209073-52-7 (HCl); 2209073-31-2 (free base)
Synonym: 4Me-PDTic; 4 Me-PDTic; 4-Me-PDTic
IUPAC/Chemical Name: (R)-7-Hydroxy-N-((S)-3-methyl-1-(4-methylpiperidin-1-yl)butan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
InChi Key: QHBNPMPKVNZQAM-WOJBJXKFSA-N
InChi Code: InChI=1S/C21H33N3O2/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)/t19-,20-/m1/s1
SMILES Code: O=C([C@@H]1NCC2=C(C=CC(O)=C2)C1)N[C@@H](C(C)C)CN3CCC(C)CC3
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: 2934.99.9001
The following data is based on the product molecular weight 359.51 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 (3 R)-7-Hydroxy- N-[(1 S)-2-methyl-1-(piperidin-1-ylmethyl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carb oxamide (PDTic). J Med Chem. 2018 Sep 13;61(17):7525-7545. doi: 10.1021/acs.jmedchem.8b00673. Epub 2018 Aug 29. PubMed PMID: 30117738.
