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MedKoo Cat#: 125369 | Name: BI-135585 monohydrate

Description:

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

BI-135585 is a potent and selective 11β-HSD1 inhibitor. BI 135585 was safe and well tolerated over 14 days and can be dosed once daily.

Chemical Structure

BI-135585 monohydrate
BI-135585 monohydrate
CAS#1374032-89-9 (hydrate)

Theoretical Analysis

MedKoo Cat#: 125369

Name: BI-135585 monohydrate

CAS#: 1374032-89-9 (hydrate)

Chemical Formula: C28H34N2O5

Exact Mass: 0.0000

Molecular Weight: 478.59

Elemental Analysis: C, 70.27; H, 7.16; N, 5.85; O, 16.71

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 #
1114561-85-1 (free base) 1374032-89-9 (hydrate)
Synonym
BI-135585 monohydrate; ZL5CN1S7OC; UNII-ZL5CN1S7OC; BI-135585 hydrate; 1374032-89-9
IUPAC/Chemical Name
(S)-6-(2-hydroxy-2-methylpropyl)-3-((S)-1-(4-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)phenyl)ethyl)-6-phenyl-1,3-oxazinan-2-one hydrate
InChi Key
RYMUARXBHUNLAU-DZGIFAGBSA-N
InChi Code
InChI=1S/C28H32N2O4.H2O/c1-20(21-10-12-22(13-11-21)23-14-16-29(4)25(31)18-23)30-17-15-28(34-26(30)32,19-27(2,3)33)24-8-6-5-7-9-24;/h5-14,16,18,20,33H,15,17,19H2,1-4H3;1H2/t20-,28-;/m0./s1
SMILES Code
O.C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC(=O)N(C)C=C4
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 478.59 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: Freude S, Heise T, Woerle HJ, Jungnik A, Rauch T, Hamilton B, Schölch C, Huang F, Graefe-Mody U. Safety, pharmacokinetics and pharmacodynamics of BI 135585, a selective 11β-hydroxysteroid dehydrogenase-1 (HSD1) inhibitor in humans: liver and adipose tissue 11β-HSD1 inhibition after acute and multiple administrations over 2 weeks. Diabetes Obes Metab. 2016 May;18(5):483-90. doi: 10.1111/dom.12635. PubMed PMID: 26799632. 2: Hamilton BS, Himmelsbach F, Nar H, Schuler-Metz A, Krosky P, Guo J, Guo R, Meng S, Zhao Y, Lala DS, Zhuang L, Claremon DA, McGeehan GM. Pharmacological characterization of the selective 11β-hydroxysteroid dehydrogenase 1 inhibitor, BI 135585, a clinical candidate for the treatment of type 2 diabetes. Eur J Pharmacol. 2015 Jan 5;746:50-5. doi: 10.1016/j.ejphar.2014.10.053. PubMed PMID: 25445047.