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MedKoo Cat#: 462371 | Name: PNU-69176E

Description:

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

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.

Chemical Structure

PNU-69176E
PNU-69176E
CAS#625120-71-0

Theoretical Analysis

MedKoo Cat#: 462371

Name: PNU-69176E

CAS#: 625120-71-0

Chemical Formula: C26H49ClN2O5S

Exact Mass: 536.3051

Molecular Weight: 537.20

Elemental Analysis: C, 58.13; H, 9.19; Cl, 6.60; N, 5.21; O, 14.89; S, 5.97

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
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

Preparing Stock Solutions

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.

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: 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

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