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MedKoo Cat#: 530217 | Name: Dilopetine Citrate

Description:

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

Dilopetine Citrate is a tachykinin receptor modulator and a neurokinin receptor modulator potentially for the treatment of depression.

Chemical Structure

Dilopetine Citrate
CAS#247046-64-6 (citrate)

Theoretical Analysis

MedKoo Cat#: 530217

Name: Dilopetine Citrate

CAS#: 247046-64-6 (citrate)

Chemical Formula: C19H27N3O8S

Exact Mass: 457.1519

Molecular Weight: 457.50

Elemental Analysis: C, 49.88; H, 5.95; N, 9.18; O, 27.98; S, 7.01

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 #
247046-52-2 (free base) 247046-64-6 (citrate)
Synonym
E-6006 Citrate; E-6039; E 6039; E6039; Dilopetine Citrate.
IUPAC/Chemical Name
(N,N-Dimethyl-N-[2-[1-(1-methyl-1H-pyrazol-5-yl)-1-(2-thienyl)methoxy]ethyl]amine citrate )
InChi Key
KRFGVGXHTYATEZ-UHFFFAOYSA-N
InChi Code
InChI=1S/C13H19N3OS.C6H8O7/c1-15(2)8-9-17-13(12-5-4-10-18-12)11-6-7-14-16(11)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-7,10,13H,8-9H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
SMILES Code
CN1N=CC=C1C(C2=CC=CS2)OCCN(C)C.OC(C(O)=O)(CC(O)=O)CC(O)=O
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
>2 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
Related CAS# 247046-62-4 (Dilopetine free base) 247046-64-6 (Dilopetine citrate)

Preparing Stock Solutions

The following data is based on the product molecular weight 457.50 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: Zhimin O, Haibing Z, Lan T, Wei Z, Gensheng Y. Asymmetric synthesis of duloxetine intermediate (S)-(-)-3-N-methylamino-1-(2-thienyl)-1-propanol using immobilized Saccharomyces cerevisiae in liquid-core sodium alginate/chitosan/sodium alginate microcapsules. Bioprocess Biosyst Eng. 2014 Nov;37(11):2243-50. doi: 10.1007/s00449-014-1202-9. PubMed PMID: 24798376. 2: Bayes M, Rabasseda X, Prous JR. Gateways to clinical trials. Methods Find Exp Clin Pharmacol. 2006 Mar;28(2):121-42. PubMed PMID: 16636723. 3: Bayés M, Rabasseda X, Prous JR. Gateways to clinical trials. Methods Find Exp Clin Pharmacol. 2004 Dec;26(10):801-27. PubMed PMID: 15672123. 4: Bayés M, Rabasseda X, Prous JR. Gateways to clinical trials. Methods Find Exp Clin Pharmacol. 2002 Oct;24(8):525-51. PubMed PMID: 12500432.