MedKoo Cat#: 462303 | Name: BIO-32546

Description:

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

BIO-32546 is an autotaxin (ATX) modulator. BIO-32546 has demonstrated in vivo efficacy in a model of acute pain with good PK/PD correlation. BIO-32546 showed a moderate blocking effect with lowered clearance (CL = 29 mL/min/kg) in rat PK, while maintaining good ATX potency (IC50 = 1.0 ±0.5 nM, N = 5) and low human microsomal clearance (CL =7.6 mL/min/kg). Compound 6 maintained low hERG inhibition (21.3% @ 10 μM) and excellent selectivity over receptors S1P1−5 and LPA1−3,5 (IC50 > 10 μM).

Chemical Structure

BIO-32546
BIO-32546
CAS#1548743-66-3

Theoretical Analysis

MedKoo Cat#: 462303

Name: BIO-32546

CAS#: 1548743-66-3

Chemical Formula: C28H31F6NO3

Exact Mass: 543.2208

Molecular Weight: 543.55

Elemental Analysis: C, 61.87; H, 5.75; F, 20.97; N, 2.58; O, 8.83

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
BIO-32546; BIO32546; BIO 32546
IUPAC/Chemical Name
8-((S)-1-(8-(trifluoromethyl)-7-(((1s,4R)-4-(trifluoromethyl)cyclohexyl)oxy)naphthalen-2-yl)ethyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
InChi Key
PZASAAIJIFDWSB-BFWXTJNGSA-N
InChi Code
InChI=1S/C28H31F6NO3/c1-15(35-20-7-8-21(35)13-18(12-20)26(36)37)17-3-2-16-4-11-24(25(23(16)14-17)28(32,33)34)38-22-9-5-19(6-10-22)27(29,30)31/h2-4,11,14-15,18-22H,5-10,12-13H2,1H3,(H,36,37)/t15-,18?,19-,20?,21?,22+/m0/s1
SMILES Code
O=C(C1CC(N2[C@H](C3=CC=C4C=CC(O[C@H]5CC[C@@H](C(F)(F)F)CC5)=C(C(F)(F)F)C4=C3)C)CCC2C1)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
Autotaxin (ATX) is a lysophospholipase D that is the main enzyme responsible for generating LPA in body fluids. Although ATX was isolated from a conditioned medium of melanoma cells, later it was discovered to play a critical role in vascular and neuronal development. ATX has also been implicated in primary brain tumor, fibrosis, and rheumatoid arthritis, as well as neurological diseases such as multiple sclerosis, Alzheimer’s disease, and neuropathic pain. As ATX and LPA levels are increased upon neuronal injury, a selective ATX inhibitor could provide a new approach to treat neuropathic pain.

Preparing Stock Solutions

The following data is based on the product molecular weight 543.55 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: Kevin M. Guckian, et al. Atx modulating agents. Patent. US20170158687A1.