Synonym
ML-1035; ML1035; ML 1035;
IUPAC/Chemical Name
Acetic acid, (4-chlorophenoxy)-, 2-hydroxy-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl ester
InChi Key
YMCNTAHTWKEECY-UHFFFAOYSA-N
InChi Code
InChI=1S/C18H19ClN4O6/c1-21-16-15(17(26)22(2)18(21)27)23(10-20-16)7-12(24)8-29-14(25)9-28-13-5-3-11(19)4-6-13/h3-6,10,12,24H,7-9H2,1-2H3
SMILES Code
O=C(OCC(O)CN1C=NC(N(C)C(N2C)=O)=C1C2=O)COC3=CC=C(Cl)C=C3
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
422.82
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: Mandagere AK, Osborne DR, Vaughn V, Kuo BS, Thompson TN, Chang J, Battor JL, Geary JI, Hwang KK. Determination of ML-1035 enantiomers in plasma by chiral high-performance liquid chromatography. J Pharm Biomed Anal. 1991;9(10-12):797-803. PubMed PMID: 1822197.
2: Linnik MD, Butler BT, Elsea SH, Ahmed NK. Analysis of neurogenic contractions induced by ML-1035 and other benzamides in the guinea-pig non-stimulated isolated ileum. J Pharm Pharmacol. 1994 Jun;46(6):491-6. PubMed PMID: 7932045.
3: Kuo BS, Poole JC, Mandagere A, Hwang KK. Column-switching liquid chromatographic determination of ML-1035 sulphoxide and its sulphone and sulphide metabolites in rat urine. J Pharm Biomed Anal. 1991;9(10-12):935-40. PubMed PMID: 1822215.
4: Kuo BS, Poole JC, Mandagere AK, Hwang KK. Disposition kinetics of ML-1035 sulfoxide enantiomers and the prochiral sulfide in rats. Chirality. 1993;5(6):428-35. PubMed PMID: 8398602.
5: Rao N, Otis KW, Hwang KK. Sex-differences in the disposition of substituted benzamides: pharmacokinetics of a gastroprokinetic agent (4-amino-5-chloro-2-[2- (methylsulfinyl) ethoxy]-N-[2-(diethylamino)ethyl] benzamide hydrochloride) (ML-1035) in male and female New Zealand white rabbits. Biopharm Drug Dispos. 1992 Dec;13(9):681-91. PubMed PMID: 1467455.
6: Kuo BS, Poole JC, Hwang KK. Validation of a column-switching high-performance liquid chromatographic (HPLC) method for determination of ML-1035 and its five metabolites in plasma. Pharm Res. 1992 Jan;9(1):119-25. PubMed PMID: 1589396.
7: Linnik MD, Butler BT, Gaddis RR, Ahmed NK. Analysis of serotonergic mechanisms underlying benzamide-induced gastroprokinesis. J Pharmacol Exp Ther. 1991 Nov;259(2):501-7. PubMed PMID: 1941605.
8: Butler BT, Silvey G, Houston DM, Borcherding DR, Vaughn VL, McPhail AT, Radzik DM, Wynberg H, ten Hoeve W, van Echten E, et al. The resolution, isolation, and pharmacological characterization of the enantiomers of a benzamide containing a chiral sulfoxide. Chirality. 1992;4(3):155-62. PubMed PMID: 1586586.
9: Kuo BS, Poole JC, Hwang KK, Cheng H. Determination of bioavailability and systemically available fractions of drugs undergoing reversible metabolism: application to 4-amino-5-chloro-2-[2-(methylsulfinyl)ethoxy]-N-[2- (diethylamino)ethyl]benzamide and its sulfide and sulfone metabolites in rats. J Pharm Sci. 1994 Mar;83(3):386-90. PubMed PMID: 8207687.
10: Kuo BS, Poole JC, Hwang KK, Cheng H. Pharmacokinetics and metabolic interconversion of intravenous 4-amino-5-chloro-2-[(methylsulfinyl)ethoxy]-N-[2-(diethylamino)ethyl] benzamide and its sulfide and sulfone metabolites in rats. J Pharm Sci. 1993 Jul;82(7):694-8. PubMed PMID: 8360842.
