WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H462371
CAS#: 625120-71-0
Description: PNU-69176E is a positive allosteric modulator of The human 5-hydroxytryptamine-2C (5-HT2C) receptor. It may represent a new class of membrane receptor modulators, which probably need a long alkyl chain as a membrane anchor and target a selective polar head group to receptor modulatory sites near the membrane surface.
Hodoodo Cat#: H462371
Name: PNU-69176E
CAS#: 625120-71-0
Chemical Formula: C26H49ClN2O5S
Exact Mass: 536.31
Molecular Weight: 537.197
Elemental Analysis: C, 58.13; H, 9.19; Cl, 6.60; N, 5.21; O, 14.89; S, 5.97
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Synonym: PNU-69176E; PNU69176E; PNU 69176E
IUPAC/Chemical Name: (2S,4R)-N-((1S,2S)-2-chloro-1-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)tetrahydro-2H-pyran-2-yl)propyl)-4-undecylpiperidine-2-carboxamide
InChi Key: KCSJXHDSJFEAID-MKSQAKAQSA-N
InChi Code: InChI=1S/C26H49ClN2O5S/c1-4-5-6-7-8-9-10-11-12-13-18-14-15-28-19(16-18)25(33)29-20(17(2)27)24-22(31)21(30)23(32)26(34-24)35-3/h17-24,26,28,30-32H,4-16H2,1-3H3,(H,29,33)/t17-,18+,19-,20+,21-,22+,23+,24+,26+/m0/s1
SMILES Code: O=C(N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O)[C@@H]2C[C@H](CCCCCCCCCCC)CCN2
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
More Info:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 537.20 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: Im WB, Chio CL, Alberts GL, Dinh DM. Positive allosteric modulator of the human 5-HT2C receptor. Mol Pharmacol. 2003;64(1):78-84. doi:10.1124/mol.64.1.78
2: Ding C, Bremer NM, Smith TD, et al. Exploration of synthetic approaches and pharmacological evaluation of PNU-69176E and its stereoisomer as 5-HT2C receptor allosteric modulators. ACS Chem Neurosci. 2012;3(7):538-545. doi:10.1021/cn300020x