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MedKoo Cat#: 571345 | Name: Enalkiren

Description:

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

Enalkiren is a dipeptide renin inhibitor used in treating cogenstive heart failure. It has been shown to cause a prolonged reduction in blood pressure and may emerge as a useful therapeutic agent for the treatment of hypertension.

Chemical Structure

Enalkiren
Enalkiren
CAS#113082-98-7

Theoretical Analysis

MedKoo Cat#: 571345

Name: Enalkiren

CAS#: 113082-98-7

Chemical Formula: C35H56N6O6

Exact Mass: 656.4261

Molecular Weight: 656.87

Elemental Analysis: C, 64.00; H, 8.59; N, 12.79; O, 14.61

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 #
No Data
Synonym
Enalkiren; A-64662; A 64662; A64662
IUPAC/Chemical Name
L-Histidinamide, N-(3-amino-3-methyl-1-oxobutyl)-O-methyl-L-tyrosyl-N-(1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl)-, (1S-(1R*,2S*,3R*))-
InChi Key
VNJVNBLJTVHNBM-WRPDIKACSA-N
InChi Code
InChI=1S/C35H56N6O6/c1-22(2)15-30(42)32(44)28(17-23-9-7-6-8-10-23)41(29(33(36)45)18-25-20-38-21-39-25)34(46)27(40-31(43)19-35(3,4)37)16-24-11-13-26(47-5)14-12-24/h11-14,20-23,27-30,32,42,44H,6-10,15-19,37H2,1-5H3,(H2,36,45)(H,38,39)(H,40,43)/t27-,28-,29-,30-,32+/m0/s1
SMILES Code
O=C(N)[C@H](CC1=CNC=N1)N(C([C@H](CC2=CC=C(OC)C=C2)NC(CC(C)(N)C)=O)=O)[C@@H](CC3CCCCC3)[C@@H](O)[C@@H](O)CC(C)C
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
>2 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 656.87 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: Gupta SK, Granneman GR, Packer M, Boger RS. Simultaneous modeling of the pharmacokinetic and pharmacodynamic properties of enalkiren (Abbott-64662, a renin inhibitor). II: A dose-ranging study in patients with congestive heart failure. J Cardiovasc Pharmacol. 1993 May;21(5):834-40. PubMed PMID: 7685457. 2: Boger RS, Glassman HN, Cavanaugh JH, Schmitz PJ, Lamm J, Moyse D, Cohen A, Kleinert HD, Luther RR. Prolonged duration of blood pressure response to enalkiren, the novel dipeptide renin inhibitor, in essential hypertension. Hypertension. 1990 Jun;15(6 Pt 2):835-40. PubMed PMID: 2190927. 3: Glassman HN, Kleinert HD, Boger RS, Moyse DM, Griffiths AN, Luther RR. Clinical pharmacology of enalkiren, a novel, dipeptide renin inhibitor. J Cardiovasc Pharmacol. 1990;16 Suppl 4:S76-81. Review. PubMed PMID: 1705633. 4: Cordero P, Fisher ND, Moore TJ, Gleason R, Williams GH, Hollenberg NK. Renal and endocrine responses to a renin inhibitor, enalkiren, in normal humans. Hypertension. 1991 Apr;17(4):510-6. PubMed PMID: 2013477. 5: Neuberg GW, Kukin ML, Penn J, Medina N, Yushak M, Packer M. Hemodynamic effects of renin inhibition by enalkiren in chronic congestive heart failure. Am J Cardiol. 1991 Jan 1;67(1):63-6. PubMed PMID: 1986506. 6: Tzoupis H, Leonis G, Avramopoulos A, Reis H, Czyżnikowska Ż, Zerva S, Vergadou N, Peristeras LD, Papavasileiou KD, Alexis MN, Mavromoustakos T, Papadopoulos MG. Elucidation of the binding mechanism of renin using a wide array of computational techniques and biological assays. J Mol Graph Model. 2015 Nov;62:138-49. doi: 10.1016/j.jmgm.2015.09.015. Epub 2015 Sep 25. PubMed PMID: 26421414. 7: Delabays A, Nussberger J, Porchet M, Waeber B, Hoyos P, Boger R, Glassman H, Kleinert HD, Luther R, Brunner HR. Hemodynamic and humoral effects of the new renin inhibitor enalkiren in normal humans. Hypertension. 1989 Jun;13(6 Pt 2):941-7. PubMed PMID: 2661434. 8: Fisher ND, Allan DR, Gaboury CL, Hollenberg NK. Intrarenal angiotensin II formation in humans. Evidence from renin inhibition. Hypertension. 1995 May;25(5):935-9. PubMed PMID: 7737730. 9: Jackson B, Liu G, Perich RB, Paxton D, McNicols L, Gutteridge G, Johnston CI. Haemodynamic, renal and hormonal responses to enalkiren in four patients with post-surgical oliguria. Clin Exp Pharmacol Physiol. 1994 Feb;21(2):163-6. PubMed PMID: 8039272. 10: Gupta SK, Granneman GR, Boger RS, Hollenberg NK, Luther RR. Simultaneous modeling of the pharmacokinetic and pharmacodynamic properties of enalkiren (Abbott-64662, a new renin inhibitor). I: Single dose study. Drug Metab Dispos. 1992 Nov-Dec;20(6):821-5. PubMed PMID: 1362933. 11: Anderson PW, Do YS, Schambelan M, Horton R, Boger RS, Luther RR, Hsueh WA. Effects of renin inhibition in systemic hypertension. Am J Cardiol. 1990 Dec 1;66(19):1342-7. PubMed PMID: 2244565. 12: Clozel JP, Fischli W. Comparative effects of three different potent renin inhibitors in primates. Hypertension. 1993 Jul;22(1):9-17. PubMed PMID: 8319997. 13: Neutel JM, Luther RR, Boger RS, Weber MA. Immediate blood pressure effects of the renin inhibitor enalkiren and the angiotensin-converting enzyme inhibitor enalaprilat. Am Heart J. 1991 Oct;122(4 Pt 1):1094-100. PubMed PMID: 1656720. 14: Fisher ND, Allan D, Kifor I, Gaboury CL, Williams GH, Moore TJ, Hollenberg NK. Responses to converting enzyme and renin inhibition. Role of angiotensin II in humans. Hypertension. 1994 Jan;23(1):44-51. PubMed PMID: 8282330. 15: Giardina WJ, Kleinert HD, Ebert DM, Wismer CT, Chekal MA, Stein HH. Intraocular pressure lowering effects of the renin inhibitor ABBOTT-64662 diacetate in animals. J Ocul Pharmacol. 1990 Summer;6(2):75-83. PubMed PMID: 2203852. 16: Luther RR, Glassman HN, Boger RS. Renin inhibitors in hypertension. Clin Nephrol. 1991 Oct;36(4):181-6. Review. PubMed PMID: 1959244. 17: Weber MA, Neutel JM, Essinger I, Glassman HN, Boger RS, Luther R. Assessment of renin dependency of hypertension with a dipeptide renin inhibitor. Circulation. 1990 Jun;81(6):1768-74. PubMed PMID: 2188754. 18: Bolger G, Vigeant JC, Liard F, Simoneau B, Thibeault D, Pilote L, Lamarre D, Jung G, Anderson P, Jaramillo J. The human renin infused rat: use as an in vivo model for the biological evaluation of human renin inhibitors. Can J Physiol Pharmacol. 1999 Nov;77(11):886-95. PubMed PMID: 10593662. 19: Boyd SA, Fung AK, Baker WR, Mantei RA, Armiger YL, Stein HH, Cohen J, Egan DA, Barlow JL, Klinghofer V, et al. C-terminal modifications of nonpeptide renin inhibitors: improved oral bioavailability via modification of physicochemical properties. J Med Chem. 1992 May 15;35(10):1735-46. PubMed PMID: 1588555. 20: Jadhav M, Yeola C, Zope G, Nabar A. Aliskiren, the first direct renin inhibitor for treatment of hypertension: the path of its development. J Postgrad Med. 2012 Jan-Mar;58(1):32-8. doi: 10.4103/0022-3859.93250. Review. PubMed PMID: 22387646.