CAS 1548743-66-3 : BIO-32546
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- CAS Number: 1548743-66-3
- Stock: 196g
- Assay: 98.19%
BIO-32546, CAS 1548743-66-3:
BIO-32546, CAS 1548743-66-3, Stock 196g, Assay 98.19%, White powder, Water 0.26%, Single Impurity 0.29%.
BIO-32546, CAS 1548743-66-3
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).
Product Details:
Name: BIO-32546
CAS#: 1548743-66-3
Chemical Formula: C28H31F6NO3
Exact Mass: 543.2208
Molecular Weight: 543.5504
Elemental Analysis: C, 61.87; H, 5.75; F, 20.97; N, 2.58; O, 8.83
Specification:
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
Certification:
