MedKoo Cat#: 412984 | Name: CJ-17493 dihydrochloride

Description:

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

CJ-17493 dihydrochloride is the salt form of CJ-17493, an isochroman neurokinin-1 receptor antagonist

Chemical Structure

CJ-17493 dihydrochloride
CJ-17493 dihydrochloride
CAS#225526-03-4 (2HCl)

Theoretical Analysis

MedKoo Cat#: 412984

Name: CJ-17493 dihydrochloride

CAS#: 225526-03-4 (2HCl)

Chemical Formula: C24H31Cl2F3N2O2

Exact Mass:

Molecular Weight: 507.42

Elemental Analysis: C, 56.81; H, 6.16; Cl, 13.97; F, 11.23; N, 5.52; O, 6.31

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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Synonym
CJ-17493 dihydrochloride; CJ17493 dihydrochloride; CJ 17493 dihydrochloride
IUPAC/Chemical Name
(2S,3S)-N-(((R)-6-methoxy-1-methyl-1-(trifluoromethyl)isochroman-7-yl)methyl)-2-phenylpiperidin-3-amine dihydrochloride
InChi Key
KKNJXTXCALOALI-DYPVWFCVSA-N
InChi Code
InChI=1S/C24H29F3N2O2.2ClH/c1-23(24(25,26)27)19-13-18(21(30-2)14-17(19)10-12-31-23)15-29-20-9-6-11-28-22(20)16-7-4-3-5-8-16;;/h3-5,7-8,13-14,20,22,28-29H,6,9-12,15H2,1-2H3;2*1H/t20-,22-,23+;;/m0../s1
SMILES Code
COc1c(CN[C@H]2CCCN[C@H]2c3ccccc3)cc4c(CCO[C@]4(C(F)(F)F)C)c1.Cl.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
>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

Preparing Stock Solutions

The following data is based on the product molecular weight 507.42 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: Shishido Y, Wakabayashi H, Koike H, Ueno N, Nukui S, Yamagishi T, Murata Y, Naganeo F, Mizutani M, Shimada K, Fujiwara Y, Sakakibara A, Suga O, Kusano R, Ueda S, Kanai Y, Tsuchiya M, Satake K. Discovery and stereoselective synthesis of the novel isochroman neurokinin-1 receptor antagonist 'CJ-17,493'. Bioorg Med Chem. 2008 Aug 1;16(15):7193-205. doi: 10.1016/j.bmc.2008.06.047. Epub 2008 Jun 26. PMID: 18640044.