MedKoo Biosciences, Inc.
Tel:   +1-919-636-5577    Fax:   +1-919-980-4831    Email:   sales@medkoo.com
Search
Login Register
Search
MedKoo Cat#: 529192 | Name: LY-3039478 monohydrate

Description:

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

LY-3039478 monohydrate is a bioactive chemical.

Chemical Structure

LY-3039478 monohydrate
LY-3039478 monohydrate
CAS#1421439-98-6 (H2O)

Theoretical Analysis

MedKoo Cat#: 529192

Name: LY-3039478 monohydrate

CAS#: 1421439-98-6 (H2O)

Chemical Formula: C22H25F3N4O5

Exact Mass: 482.1777

Molecular Weight: 482.46

Elemental Analysis: C, 54.77; H, 5.22; F, 11.81; N, 11.61; O, 16.58

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.
Bulk Inquiry
Related CAS #
1421438-81-4 (free base) 1421439-98-6 (H2O)
Synonym
LY-3039478 monohydrate
IUPAC/Chemical Name
Butanamide, N-((1S)-2-(((7S)-6,7-dihydro-5-(2-hydroxyethyl)-6-oxo-5H-pyrido(3,2-a)(3)benzazepin-7-yl)amino)-1-methyl-2-oxoethyl)-4,4,4-trifluoro-, hydrate (1:1)
InChi Key
UWNXJDPMHPTTDL-ZYJMRSDMSA-N
InChi Code
InChI=1S/C22H23F3N4O4.H2O/c1-13(27-17(31)8-9-22(23,24)25)20(32)28-18-15-6-3-2-5-14(15)16-7-4-10-26-19(16)29(11-12-30)21(18)33;/h2-7,10,13,18,30H,8-9,11-12H2,1H3,(H,27,31)(H,28,32);1H2/t13-,18-;/m0./s1
SMILES Code
O=C(N[C@@H](C)C(N[C@H]1C2=CC=CC=C2C3=CC=CN=C3N(CCO)C1=O)=O)CCC(F)(F)F.[H]O[H]
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
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 482.46 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: Owczarzak A, Przybył AK, Kubicki M. Different cationic forms of (-)-cytisine in the crystal structures of its simple inorganic salts. Acta Crystallogr C Struct Chem. 2018 Nov 1;74(Pt 11):1518-1530. doi: 10.1107/S2053229618012585. Epub 2018 Oct 23. PubMed PMID: 30398209. 2: Tarnopolsky MA. Myopathies Related to Glycogen Metabolism Disorders. Neurotherapeutics. 2018 Nov 5. doi: 10.1007/s13311-018-00684-2. [Epub ahead of print] Review. PubMed PMID: 30397902. 3: Bilbault H, Perez J, Huguet L, Vandermeersch S, Placier S, Tabibzadeh N, Frochot V, Letavernier E, Bazin D, Daudon M, Haymann JP. Urothelium proliferation is a trigger for renal crystal deposits in a murine lithogenesis model. Sci Rep. 2018 Nov 5;8(1):16319. doi: 10.1038/s41598-018-34734-8. PubMed PMID: 30397242; PubMed Central PMCID: PMC6218513. 4: Jamal Altamimi M, Wolff K, Nokhodchi A, Martin GP, Royall PG. Variability in the α and β anomer content of commercially available lactose. Int J Pharm. 2018 Nov 2. pii: S0378-5173(18)30804-4. doi: 10.1016/j.ijpharm.2018.10.061. [Epub ahead of print] PubMed PMID: 30395957. 5: Wang H, Zhang T, Zhao M, Chen R, Wu L. Micro-Dosing of Fine Cohesive Powders Actuated by Pulse Inertia Force. Micromachines (Basel). 2018 Feb 7;9(2). pii: E73. doi: 10.3390/mi9020073. PubMed PMID: 30393349; PubMed Central PMCID: PMC6187270. 6: Tahir IM, Akhter N, Parveen A, Mehboob H, Saleem S, Munir N, Shah SM, Zaheer J, Khan FS, Sultana S, Akram M. Effects of methanolic and aqueous extracts of Ipomoea batatas L on mineral contents level (calcium and magnesium) in alloxan-induced diabetic rats. Pak J Pharm Sci. 2018 Sep;31(5(Supplementary)):2077-2083. PubMed PMID: 30393215. 7: Szepes A, Pabst-Ravot A, Storch K, Timpe C. Stability and compatibility of Basmisanil granules co-administered with soft food. Int J Pharm. 2018 Oct 27;553(1-2):422-427. doi: 10.1016/j.ijpharm.2018.10.059. [Epub ahead of print] PubMed PMID: 30393169. 8: Bulysheva AA, Sori N, Francis MP. Direct crystal formation from micronized bone and lactic acid: The writing on the wall for calcium-containing crystal pathogenesis in osteoarthritis? PLoS One. 2018 Nov 2;13(11):e0202373. doi: 10.1371/journal.pone.0202373. eCollection 2018. PubMed PMID: 30388106. 9: Lee CP, Huang YN, Nithiyanantham S, Huang CM, Ko YC. LncRNA-Jak3:Jak3 coexpressed pattern regulates monosodium urate crystal-induced osteoclast differentiation through Nfatc1/Ctsk expression. Environ Toxicol. 2018 Nov 2. doi: 10.1002/tox.22672. [Epub ahead of print] PubMed PMID: 30387921. 10: Lu Q, Dun J, Chen JM, Liu S, Sun CC. Improving solid-state properties of berberine chloride through forming a salt cocrystal with citric acid. Int J Pharm. 2018 Oct 29;554:14-20. doi: 10.1016/j.ijpharm.2018.10.062. [Epub ahead of print] PubMed PMID: 30385378. 11: Maher S, Walsh SJ, Takyi J, Wakai A, Brayden DJ, Hayden JC. Effect of over-encapsulation on the disintegration and dissolution of licensed formulations for blinding in randomised controlled trials. J Pharm Sci. 2018 Oct 29. pii: S0022-3549(18)30667-1. doi: 10.1016/j.xphs.2018.10.035. [Epub ahead of print] PubMed PMID: 30385287. 12: Polonini H, da Silva SL, Brandão MAF, Bauters T, De Moerloose B, Ferreira AO. Compatibility of Baclofen, Carvedilol, Hydrochlorothiazide, Mercaptopurine, Methadone Hydrochloride, Oseltamivir Phosphate, Phenobarbital, Propranolol Hydrochloride, Pyrazinamide, Sotalol Hydrochloride, Spironolactone, Tacrolimus Monohydrate, Ursodeoxycholic Acid, and Vancomycin Hydrochloride Oral Suspensions Compounded with SyrSpend SF pH4. Int J Pharm Compd. 2018 Nov-Dec;22(6):516-526. PubMed PMID: 30384353. 13: Khan AS, Syed MR. A review of bioceramics-based dental restorative materials. Dent Mater J. 2018 Nov 1. doi: 10.4012/dmj.2018-039. [Epub ahead of print] PubMed PMID: 30381635. 14: Enayati M, Gong Y, Goddard JM, Abbaspourrad A. Synthesis and characterization of lactose fatty acid ester biosurfactants using free and immobilized lipases in organic solvents. Food Chem. 2018 Nov 15;266:508-513. doi: 10.1016/j.foodchem.2018.06.051. Epub 2018 Jun 12. PubMed PMID: 30381219. 15: Zhao F, Qiu X, Ye N, Qian J, Wang D, Zhou P, Chen M. Hydrophilic interaction liquid chromatography coupled with quadrupole-orbitrap ultra high resolution mass spectrometry to quantitate nucleobases, nucleosides, and nucleotides during white tea withering process. Food Chem. 2018 Nov 15;266:343-349. doi: 10.1016/j.foodchem.2018.06.030. Epub 2018 Jun 8. PubMed PMID: 30381196. 16: Shittu ST, Shittu SA, Olatunji AA, Oyeyemi WA. Ocimum gratissimum leaf extract may precipitate infertility in male diabetic Wistar rats. JBRA Assist Reprod. 2018 Oct 30. doi: 10.5935/1518-0557.20180072. [Epub ahead of print] PubMed PMID: 30376279. 17: Shu Y, Zhou Y, Ma P, Li C, Ge C, Wang Y, Li Q, Yu K, Lu R, Zou X, Yin Y, Li J. Degradation in vitro and in vivo of β-TCP/MCPM-based premixed calcium phosphate cement. J Mech Behav Biomed Mater. 2018 Oct 3;90:86-95. doi: 10.1016/j.jmbbm.2018.10.001. [Epub ahead of print] PubMed PMID: 30359856. 18: Munjal B, Zode SS, Bansal AK. Crystallization of Cyclophosphamide Monohydrate During Lyophilization. J Pharm Sci. 2018 Oct 20. pii: S0022-3549(18)30620-8. doi: 10.1016/j.xphs.2018.10.020. [Epub ahead of print] PubMed PMID: 30352215. 19: Kildgaard JV, Mikkelsen KV, Bilde M, Elm J. Hydration of Atmospheric Molecular Clusters II: Organic Acid-Water Clusters. J Phys Chem A. 2018 Nov 1;122(43):8549-8556. doi: 10.1021/acs.jpca.8b07713. Epub 2018 Oct 24. PubMed PMID: 30351100. 20: Braun DE, Schneeberger A, Griesser UJ. Understanding the Role of Water in 1,10-Phenanthroline Monohydrate. CrystEngComm. 2017 Nov 7;19(41):6133-6145. doi: 10.1039/C7CE01371J. PubMed PMID: 30344448; PubMed Central PMCID: PMC6195195.