MedKoo Cat#: 574366 | Name: (+/-)-J 113397
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Description:

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

(+/-)-J 113397 is an analogue is a potent nociceptin/orphanin FQ receptor antagonist and non-peptide ORL-1 receptor antagonist.

Chemical Structure

(+/-)-J 113397
(+/-)-J 113397
CAS#217461-40-0

Theoretical Analysis

MedKoo Cat#: 574366

Name: (+/-)-J 113397

CAS#: 217461-40-0

Chemical Formula: C48H74N6O4

Exact Mass: 798.5772

Molecular Weight: 799.16

Elemental Analysis: C, 72.14; H, 9.33; N, 10.52; O, 8.01

Price and Availability

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10mg USD 625.00 2 Weeks
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Related CAS #
No Data
Synonym
(+/-)-J 113397
IUPAC/Chemical Name
1-((3R,4R)-1-(cyclooctylmethyl)-3-(hydroxymethyl)piperidin-4-yl)-3-ethyl-1,3-dihydro-2H-benzo[d]imidazol-2-one compound with 1-((3S,4S)-1-(cyclooctylmethyl)-3-(hydroxymethyl)piperidin-4-yl)-3-ethyl-1,3-dihydro-2H-benzo[d]imidazol-2-one (1:1)
InChi Key
NLSVMRCGZVSAFK-SDNSQTLOSA-N
InChi Code
InChI=1S/2C24H37N3O2/c2*1-2-26-22-12-8-9-13-23(22)27(24(26)29)21-14-15-25(17-20(21)18-28)16-19-10-6-4-3-5-7-11-19/h2*8-9,12-13,19-21,28H,2-7,10-11,14-18H2,1H3/t2*20-,21+/m10/s1
SMILES Code
CCN1C4=C(C=CC=C4)N([C@@H]2CCN(CC3CCCCCCC3)C[C@H]2CO)C1=O.CCN5C8=C(C=CC=C8)N([C@H]6CCN(CC7CCCCCCC7)C[C@@H]6CO)C5=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
>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 799.16 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
Trapella, C. et al.: Bioorg. Med. Chem., 14, 692 (2006) De Risi, C.et al.: Bioorg. Med. Chem., 9, 1871 (2001)