LB-80380 maleate salt | CAS#1039623-01-2 | phosphonate nucleoside

MedKoo Cat#: 598502 | Name: LB-80380 maleate salt

Description:

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

LB-80380 maleate salt is a novel phosphonate nucleoside for the potential treatment of HBV infection.

Chemical Structure

LB-80380 maleate salt

CAS#1039623-01-2

Theoretical Analysis

MedKoo Cat#: 598502

Name: LB-80380 maleate salt

CAS#: 1039623-01-2

Chemical Formula: C26H38N5O11P

Exact Mass:

Molecular Weight: 627.58

Elemental Analysis: C, 49.76; H, 6.10; N, 11.16; O, 28.04; P, 4.94

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 #

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Synonym

LB-80380 maleate salt; LB 80380 maleate salt; LB80380 maleate salt;

IUPAC/Chemical Name

((((1-((2-amino-9H-purin-9-yl)methyl)cyclopropoxy)methyl)phosphanediyl)bis(oxy))bis(methylene) bis(2,2-dimethylpropanoate) maleate

InChi Key

XVQGVHXBNVFYSR-BTJKTKAUSA-N

InChi Code

InChI=1S/C22H34N5O7P.C4H4O4/c1-20(2,3)17(28)30-12-33-35(34-13-31-18(29)21(4,5)6)14-32-22(7-8-22)10-27-11-25-15-9-24-19(23)26-16(15)27;5-3(6)1-2-4(7)8/h9,11H,7-8,10,12-14H2,1-6H3,(H2,23,24,26);1-2H,(H,5,6)(H,7,8)/b;2-1-

SMILES Code

NC1=NC=C2N=CN(CC3(OCP(OCOC(C(C)(C)C)=O)OCOC(C(C)(C)C)=O)CC3)C2=N1.O=C(O)/C=C\C(O)=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

2934.99.03.00

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 627.58 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.

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: Papatheodoridis GV, Manolakopoulos S. Drug evaluation: LB-80380--a novel phosphonate nucleoside for the potential treatment of HBV infection. Curr Opin Mol Ther. 2006 Aug;8(4):352-7. Review. PubMed PMID: 16955699. 2: Lampertico P. Oral antiviral therapy for hepatitis B: the case of besifovir, a new kid on the block with a long way to go. Gut. 2014 Jun;63(6):869-70. doi: 10.1136/gutjnl-2013-305859. Epub 2013 Oct 25. PubMed PMID: 24162592. 3: Yuen MF, Ahn SH, Lee KS, Um SH, Cho M, Yoon SK, Lee JW, Park NH, Kweon YO, Sohn JH, Lee J, Kim JA, Lai CL, Han KH. Two-year treatment outcome of chronic hepatitis B infection treated with besifovir vs. entecavir: results from a multicentre study. J Hepatol. 2015 Mar;62(3):526-32. doi: 10.1016/j.jhep.2014.10.026. Epub 2014 Oct 25. PubMed PMID: 25450709. 4: Lai CL, Ahn SH, Lee KS, Um SH, Cho M, Yoon SK, Lee JW, Park NH, Kweon YO, Sohn JH, Lee J, Kim JA, Han KH, Yuen MF. Phase IIb multicentred randomised trial of besifovir (LB80380) versus entecavir in Asian patients with chronic hepatitis B. Gut. 2014 Jun;63(6):996-1004. doi: 10.1136/gutjnl-2013-305138. Epub 2013 Aug 26. PubMed PMID: 23979965. 5: Jung JA, Kim SR, Kim TE, Kim JR, Lee SY, Huh W, Ko JW. Pharmacokinetic comparison of the maleate and free base formulations of LB80380, a novel nucleotide analog, in healthy male volunteers. Int J Clin Pharmacol Ther. 2012 Sep;50(9):657-64. PubMed PMID: 22981147. 6: Yuen MF, Han KH, Um SH, Yoon SK, Kim HR, Kim J, Kim CR, Lai CL. Antiviral activity and safety of LB80380 in hepatitis B e antigen-positive chronic hepatitis B patients with lamivudine-resistant disease. Hepatology. 2010 Mar;51(3):767-76. doi: 10.1002/hep.23462. PubMed PMID: 20091678. 7: Fung J, Lai CL, Yuen MF. LB80380: a promising new drug for the treatment of chronic hepatitis B. Expert Opin Investig Drugs. 2008 Oct;17(10):1581-8. doi: 10.1517/13543784.17.10.1581 . Review. PubMed PMID: 18808318. 8: Choi JR, Cho DG, Roh KY, Hwang JT, Ahn S, Jang HS, Cho WY, Kim KW, Cho YG, Kim J, Kim YZ. A novel class of phosphonate nucleosides. 9-[(1-phosphonomethoxycyclopropyl)methyl]guanine as a potent and selective anti-HBV agent. J Med Chem. 2004 May 20;47(11):2864-9. PubMed PMID: 15139764. 9: Yuen MF, Kim J, Kim CR, Ngai V, Yuen JC, Min C, Kang HM, Shin BS, Yoo SD, Lai CL. A randomized placebo-controlled, dose-finding study of oral LB80380 in HBeAg-positive patients with chronic hepatitis B. Antivir Ther. 2006;11(8):977-83. PubMed PMID: 17302367. 10: Mak LY, Seto WK, Lai CL, Yuen MF. Pharmacokinetic evaluation of besifovir for the treatment of HBV infection. Expert Opin Drug Metab Toxicol. 2018 Jan;14(1):101-106. doi: 10.1080/17425255.2018.1417983. Epub 2017 Dec 18. Review. PubMed PMID: 29237296.