MedKoo Cat#: 412131 | Name: Buparlisib HCl
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Description:

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

Buparlisib hydrochloride is an investigational small molecule orally-available pan-class I phosphoinositide 3-kinase inhibitor.

Chemical Structure

Buparlisib HCl
Buparlisib HCl
CAS#1312445-63-8 (HCl)

Theoretical Analysis

MedKoo Cat#: 412131

Name: Buparlisib HCl

CAS#: 1312445-63-8 (HCl)

Chemical Formula: C18H22ClF3N6O2

Exact Mass: 446.1445

Molecular Weight: 446.86

Elemental Analysis: C, 48.38; H, 4.96; Cl, 7.93; F, 12.75; N, 18.81; O, 7.16

Price and Availability

Size Price Availability Quantity
10mg USD 350.00 2 Weeks
50mg USD 600.00 2 Weeks
100mg USD 950.00 2 Weeks
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Synonym
Buparlisib hydrochloride; BKM120AAA ; BKM120 AAA ; BKM120-AAA ; Buparlisib HCl
IUPAC/Chemical Name
2-Pyridinamine, 5-(2,6-di-4-morpholinyl-4-pyrimidinyl)-4-(trifluoromethyl)-, hydrochloride (1:1)
InChi Key
DGPLYAXBXJXEID-UHFFFAOYSA-N
InChi Code
InChI=1S/C18H21F3N6O2.ClH/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27;/h9-11H,1-8H2,(H2,22,23);1H
SMILES Code
NC1=NC=C(C2=NC(N3CCOCC3)=NC(N4CCOCC4)=C2)C(C(F)(F)F)=C1.[H]Cl
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

Preparing Stock Solutions

The following data is based on the product molecular weight 446.86 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
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PMID: 8096874. 5: Ono S, Tsutsui M, Gonzalez FJ, Satoh T, Masubuchi Y, Horie T, Suzuki T, Narimatsu S. Oxidative metabolism of bunitrolol by complementary DNA-expressed human cytochrome P450 isozymes in a human hepatoma cell line (Hep G2) using recombinant vaccinia virus. Pharmacogenetics. 1995 Apr;5(2):97-102. doi: 10.1097/00008571-199504000-00006. PMID: 7663534. 6: Ishida R, Fujita S, Suzuki T. Bunitrolol metabolism and its inhibition by cimetidine. J Pharm Pharmacol. 1988 Jan;40(1):64-5. doi: 10.1111/j.2042-7158.1988.tb05155.x. PMID: 2896780. 7: Matsuzaki J, Yamamoto C, Miyama T, Takanaga H, Matsuo H, Ishizuka H, Kawahara Y, Kuwano M, Naito M, Tsuruo T, Sawada Y. Contribution of P-glycoprotein to bunitrolol efflux across blood-brain barrier. Biopharm Drug Dispos. 1999 Mar;20(2):85-90. doi: 10.1002/(sici)1099-081x(199903)20:2<85::aid- bdd159>3.0.co;2-3. PMID: 10206323. 8: Narimatsu S, Masubuchi Y, Hosokawa S, Ohmori S, Kitada M, Suzuki T. Involvement of a cytochrome P4502D subfamily in human liver microsomal bunitrolol 4-hydroxylation. Biol Pharm Bull. 1994 Jun;17(6):803-7. doi: 10.1248/bpb.17.803. PMID: 7951142. 9: Haddad S, Poulin P, Funk C. Extrapolating in vitro metabolic interactions to isolated perfused liver: predictions of metabolic interactions between R-bufuralol, bunitrolol, and debrisoquine. J Pharm Sci. 2010 Oct;99(10):4406-26. doi: 10.1002/jps.22136. PMID: 20310018. 10: Satoh K, Nunoki K, Goto T, Taira N. The mechanism underlying the vasodilator action of bunitrolol: contribution of alpha 1-adrenoceptor blocking action. J Cardiovasc Pharmacol. 1985 May-Jun;7(3):508-15. doi: 10.1097/00005344-198505000-00015. PMID: 2410682. 11: Narimatsu S, Kato R, Horie T, Ono S, Tsutsui M, Yabusaki Y, Ohmori S, Kitada M, Ichioka T, Shimada N, Kato R, Ishikawa T. Enantioselectivity of bunitrolol 4-hydroxylation is reversed by the change of an amino acid residue from valine to methionine at position 374 of cytochrome P450-2D6. Chirality. 1999;11(1):1-9. doi: 10.1002/(SICI)1520-636X(1999)11:1<1::AID-CHIR1>3.0.CO;2-E. PMID: 9914647. 12: Keul J, Lehmann M, Wybitul K. Zur Wirkung von Bunitrolol auf Herzfrequenz, metabolische Grössen bei Körperarbeit und Leistungsverhalten [Effect of bunitrolol on heart rate, metabolic parameters during physical exercise, and performance]. Arzneimittelforschung. 1981;31(11):1948-53. German. PMID: 6119096. 13: Takeda N, Nakamura I, Hatanaka T, Ohkubo T, Nagano M. Effects of bunitrolol on myocardial contractility and left ventricular myosin isoenzyme pattern. Arzneimittelforschung. 1988 Sep;38(9):1280-2. PMID: 2906244. 14: Pozenel H. Vergleichende ergometrische Untersuchungen nach Anwendung von Practolol und Bunitrolol [Comparable ergometric examinations before and after administration of practolol and bunitrolol (author's transl)]. Wien Klin Wochenschr. 1975 Jan 10;87(1):19-25. German. PMID: 236621. 15: Okabayashi T, Naito S, Arakawa K. Antihypertensive effect of intravenously and orally administered bunitrolol (Kö 1366). Arzneimittelforschung. 1979;29(9):1417-21. PMID: 42418. 16: Jonker JJ, de Klerk J, den Ottolander GJ. A double blind cross-over comparison of bunitrolol and placebo in the treatment of angina pectoris. Arzneimittelforschung. 1981;31(7):1140-2. PMID: 6115654. 17: Beumer HM, Ritter W. Antagonism of fenoterol against beta-blocking drugs bunitrolol and practolol in asthmatics. Respiration. 1975;32(5):363-7. doi: 10.1159/000193666. PMID: 241102. 18: Lund-Johansen P. Central haemodynamic effects of beta blockers in hypertension. A comparison between atenolol, metoprolol, timolol, penbutolol, alprenolol pindolol and bunitrolol. Eur Heart J. 1983 Jul;4 Suppl D:1-12. doi: 10.1093/eurheartj/4.suppl_d.1. PMID: 6137366. 19: Nagakura A, Kohei H. Simultaneous determination of bunitrolol and its metabolite in biological fluids, plasma and urine. J Chromatogr. 1982 Oct 8;232(1):137-43. doi: 10.1016/s0378-4347(00)86016-8. PMID: 6128351. 20: Banim SO, da Silva A, Balcon R. Haemodynamic observations with KO. 1366 (bunitrolol), a new beta-adrenergic blocking agent. Curr Med Res Opin. 1977;4(9):630-4. doi: 10.1185/03007997709115282. PMID: 22426.