MedKoo Cat#: 555909 | Name: XUN01966

Description:

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

XUN01966 is a ligand for aldo-​keto reductases and fluorogenic probe. It was reported in WO 2006023821. This product has no formal name at the moment. For the convenience of communication, a temporary code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).

Chemical Structure

XUN01966
XUN01966
CAS#122501-96-6

Theoretical Analysis

MedKoo Cat#: 555909

Name: XUN01966

CAS#: 122501-96-6

Chemical Formula: C17H17NO3

Exact Mass: 283.1208

Molecular Weight: 283.33

Elemental Analysis: C, 72.07; H, 6.05; N, 4.94; O, 16.94

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
XUN01966; XUN-01966; XUN 01966;
IUPAC/Chemical Name
8-acetyl-2,3,5,6-tetrahydro-1h,4h-11-oxa-3a-azabenzo[de]anthracen-10-one
InChi Key
XQARIKRDYJHYTM-UHFFFAOYSA-N
InChi Code
InChI=1S/C17H17NO3/c1-10(19)13-9-15(20)21-17-12-5-3-7-18-6-2-4-11(16(12)18)8-14(13)17/h8-9H,2-7H2,1H3
SMILES Code
O=C1OC2=C3C4=C(CCCN4CCC3)C=C2C(C(C)=O)=C1
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
The photophys. properties of XUN01966 were λmax of 436 nm, ε 12,​900 ± 200 M-​1cm-​1, λem 520 nm, and Φ 0.00080 ±0.00008. The AKR1Cs kinetic data of the fluorogenic substrates were also detd. XUN01966 showed Km 24.4 ± 2.3 μM, Kcat 1.1 min-​1, and catalytic efficiency (Kcat/Km) (CE) 0.0, 46 for AKR1C1; Km 7.3 ± 0.4 μM, Kcat 14.8 min-​1, CE 2.1 for AKR1C2; Km 1.1 ± 0.1 μM, Kcat 7.5 min-​1, CE 6.9 for AKR1C3; and Km 20.6 ± 1.9 μM, Kcat 0.38 min-​1, CE 0.0, and 20 for AKR1C4. XUN01966 was found to be a selective probe for 3α-​hydroxysteroid dehydrogenases.

Preparing Stock Solutions

The following data is based on the product molecular weight 283.33 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