ChemicalBook CAS DataBase List N-(2'-C-Methyl-6-O-Methyl-P-1-naphthalenyl-5'-guanylyl)-L-alanine 2,2-diMethylpropyl ester

N-(2'-C-Methyl-6-O-Methyl-P-1-naphthalenyl-5'-guanylyl)-L-alanine 2,2-diMethylpropyl ester

Product NameN-(2'-C-Methyl-6-O-Methyl-P-1-naphthalenyl-5'-guanylyl)-L-alanine 2,2-diMethylpropyl ester
CAS1234490-83-5
CBNumberCB62604352
MFC30H39N6O9P
MW658.639221
MDL NumberMFCD22124897
MOL File1234490-83-5.mol

Chemical Properties

Boiling point	848.7±75.0 °C(Predicted)
Density	1.47
storage temp.	Store at -20°C
solubility	Soluble in DMSO
pka	13.01±0.70(Predicted)
form	Solid
color	White to off-white
InChIKey	YFXGICNMLCGLHJ-RSKRLRQZSA-N
SMILES	[P](=O)(N[C@@H](C)C(=O)OCC(C)(C)C)(OC[C@H]3O[C@H]([C@@]([C@@H]3O)(O)C)[n]4c5[nH][c](nc(c5nc4)OC)=N)Oc1c2c(ccc1)cccc2
FDA UNII	62F4AD749Y
UNSPSC Code	51111800
NACRES	NA.77

Safety

Symbol(GHS)
Signal word	Warning
Hazard statements	H315-H319-H335
Precautionary statements	P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
WGK Germany	WGK 3
Storage Class	11 - Combustible Solids

N-(2'-C-Methyl-6-O-Methyl-P-1-naphthalenyl-5'-guanylyl)-L-alanine 2,2-diMethylpropyl ester Price

Product number	Packaging	Price	Product description	Buy
Sigma-Aldrich SML2895	5 mg	$173.85	BMS-986094 ≥98% (HPLC)	Buy
Sigma-Aldrich SML2895	25 mg	$588	BMS-986094 ≥98% (HPLC)	Buy
Tocris 6974	5	$149	BMS986094 ≥98%(HPLC)	Buy
Crysdot CD21016980	5mg	$480	INX-08189 95+%	Buy

N-(2'-C-Methyl-6-O-Methyl-P-1-naphthalenyl-5'-guanylyl)-L-alanine 2,2-diMethylpropyl ester Chemical Properties,Usage,Production

Uses

BMS-986094 (INX-08189) is a potent inhibitor of hepatitis C virus (HCV) replication, with an EC50 of 35 nM at 24 h in Huh-7 cells. BMS-986094 is a phosphoramidate proagent of 6-O-methyl-2’-C-methyl guanosine. BMS-986094 can be used for the research of chronic HCV infection[1][2].

Biological Activity

BMS-986094 is an orally available prodrug of nucleotide analogue 2′-C-methylguanosine th at potently inhibits Hepatitis C virus (HCV) replication. It is a guanosine nucleotide inhibitor of HCV RNA-dependent RNA polymerase NS5b.

in vivo

BMS-986094 (3-300 mg/kg; p.o.) converts to 2′-C-Me-GTP after oral administration, and 2’-C-MeG in the plasma is proportional to the production of 2’-C-MeGTP in the liver^[1].
BMS-986094 (25 mg/kg; p.o.) is efficiently extracts from the portal circulation by the liver following oral administration in cynomolgus monkeys^[1].
BMS-986094 (15 or 30 mg/kg/d; p.o. for 3 weeks) administers cynomolgus monkeys, the nucleoside metabolite M2 was the major plasma analyte, and INX-09114 was the highest drug-related species in the heart and kidney^[3].

Animal Model:	Male Sprague-Dawley rats^[1]
Dosage:	3, 5, 10, 25 mg/kg
Administration:	A single p.o. administration
Result:	At doses of ≥5 mg/kg, the concentrations of 2′-C-MeGTP in the liver exceeded the EC₉₀ soon after dosing and remained at or above this level for 72 h.

storage

Store at -20°C

References

[1] Vernachio JH, et, al. INX-08189, a phosphoramidate prodrug of 6-O-methyl-2'-C-methyl guanosine, is a potent inhibitor of hepatitis C virus replication with excellent pharmacokinetic and pharmacodynamic properties. Antimicrob Agents Chemother. 2011 May; 55(5): 1843-51. DOI:10.1128/AAC.01335-10
[2] McGuigan C, et, al. Design, synthesis and evaluation of a novel double pro-drug: INX-08189. A new clinical candidate for hepatitis C virus. Bioorg Med Chem Lett. 2010 Aug 15; 20(16): 4850-4. DOI:10.1016/j.bmcl.2010.06.094
[3] Li W, et, al. In Vitro Metabolite Formation in Human Hepatocytes and Cardiomyocytes and Metabolism and Tissue Distribution in Monkeys of the 2'-C-Methylguanosine Prodrug BMS-986094. Int J Toxicol. 2017 Jan 1; 1091581816683642. DOI:10.1177/1091581816683642

Preparation Products And Raw materials

N-(2'-C-Methyl-6-O-Methyl-P-1-naphthalenyl-5'-guanylyl)-L-alanine 2,2-diMethylpropyl ester Suppliers

Supplier	Tel	Email	Country	ProdList	Advantage
TargetMol Chemicals Inc.	+1-781-999-5354; +17819995354	marketing@targetmol.com	United States	32470	58
HANGZHOU CLAP TECHNOLOGY CO.,LTD	86-571-88216897,88216896 13588875226	sales@hzclap.com	CHINA	6312	58
NewCan Biotech Limited	+86-0571-86912261 +8613735419629	sales@newcanbio.com	China	9985	58
HANGZHOU LEAP CHEM CO., LTD.	+86-571-87711850	market18@leapchem.com	China	43333	58
Aladdin Scientific		tp@aladdinsci.com	United States	52923	58
TargetMol Chemicals Inc.	+17819995354	marketing@targetmol.com	United States	19964	58
NANJING YINGWEN BIOTECHNOLOGY CO LTD	+86-18105166830 +86-13382787392	sales@aeechem.com	China	9999	58
Amadis Chemical Company Limited	571-89925085	sales@amadischem.com	China	131957	58
Dtchem Laboratories,（Gan Su）Co.,Ltd.	18993966060	sales@techbiochem.com	China	816	61
SHANGHAI FORTUNE CHEMICAL TECHNOLOGY CO., LTD	13816107857	sales@fortunechem-sh.com	China	984	58

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