WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H123379
CAS#: 2407527-16-4 (chloride)
Description: Enlicitide chloride also known as MK0616, is an orally bioavailable PCSK9 Inhibitor. MK-0616 demonstrates significant LDL-C reduction. MK-0616 displayed high affinity (Ki = 5pM) for PCSK9 in vitro and sufficient safety and oral bioavailability preclinically to enable advancement into the clinic.
Hodoodo Cat#: H123379
Name: Enlicitide chloride
CAS#: 2407527-16-4 (chloride)
Chemical Formula: C82H110ClFN14O15
Exact Mass: 0.00
Molecular Weight: 1,586.313
Elemental Analysis: C, 62.09; H, 6.99; Cl, 2.23; F, 1.20; N, 12.36; O, 15.13
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Related CAS #: 2407527-16-4 (chloride) 2407527-14-2 (cation)
Synonym: MK-0616; MK0616; MK 0616; Enlicitide chloride.
IUPAC/Chemical Name: L-Proline, L-alanyl-3-[[1-oxo-6-(trimethylammonio)hexyl]amino]-D-alanyl-3-[[(2-hydroxyacetyl)amino]methyl]-L-phenylalanyl-1-[6-[[[4-(2-aminoethyl)phenyl]methyl](3-carboxy-1-oxopropyl)amino]hexyl]-5-fluoro-L-tryptophyl-(3S)-3-hydroxy-L-prolyl-L-threonyl-O-methyl-L-tyrosyl-2-methyl-, (4→1),(8→4)-dilactam, cyclic (3→5)-ether, chloride (1:1)
InChi Key: KZFXQSLIAQMQRP-MQCRZNPVSA-O
InChi Code: InChI=1S/C81H104FN15O15S2/c1-50-73(101)87-63-40-54-15-10-14-52(35-54)13-8-9-31-112-68-22-27-94-72(68)77(105)90-71(51(2)98)76(104)89-64(39-53-16-19-61(109-7)20-17-53)79(107)95-26-11-24-81(95,3)80(108)83-25-34-114-49-56-36-55(48-113-33-23-69(99)86-66(75(103)85-50)43-84-70(100)47-111-30-12-29-110-32-28-97(4,5)6)37-60(38-56)96-46-59(91-92-96)45-93-44-57(41-65(78(94)106)88-74(63)102)62-42-58(82)18-21-67(62)93/h8-10,14-21,35-38,42,44,46,50-51,63-66,68,71-72,98H,11-13,22-34,39-41,43,45,47-49H2,1-7H3,(H7-,83,84,85,86,87,88,89,90,99,100,101,102,103,104,105,108)/p+1/b9-8+/t50-,51-,63+,64+,65+,66+,68+,71+,72+,81+/m1/s1
SMILES Code: FC=1C=C2C3=CN(C2=CC1)CCCCCCN4CC=5C=CC(=CC5)CCNC(=O)[C@@]6(C)N(C(=O)[C@H](CC7=CC=C(OC)C=C7)NC(=O)[C@]([C@@H](C)O)(NC(=O)[C@]8(N9C(=O)[C@](C3)(NC(=O)[C@](CC=%10C=C(C=CC%10)CNC(=O)CO[C@]8(CC9)[H])(NC(=O)[C@@H](CNC(CCCCC[N+](C)(C)C)=O)NC(=O)[C@H](C)NC(=O)CCC4=O)[H])[H])[H])[H])CCC6.[Cl-]
Appearance: To be determined
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: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
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: Inhibition of PCSK9 (proprotein convertase subtilisin/kexin type 9)-low density lipoprotein receptor interaction with injectable monoclonal antibodies or small interfering RNA lowers plasma low density lipoprotein-cholesterol, but despite nearly 2 decades of effort, an oral inhibitor of PCSK9 is not available. Macrocyclic peptides represent a novel approach to target proteins traditionally considered intractable to small-molecule drug design.
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 1,586.31 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 |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
1: Johns DG, Campeau LC, Banka P, Bautmans A, Bueters T, Bianchi E, Branca D, Bulger PG, Crevecoeur I, Ding FX, Garbaccio RM, Guetschow ED, Guo Y, Ha SN, Johnston JM, Josien H, Kauh EA, Koeplinger KA, Kuethe JT, Lai E, Lanning CL, Lee AYH, Li L, Nair AG, O'Neill EA, Stoch SA, Thaisrivongs DA, Tucker TJ, Vachal P, van Dyck K, Vanhoutte FP, Volckaert B, Wolford DG, Xu A, Zhao T, Zhou D, Zhou S, Zhu X, Zokian HJ, Walji AM, Wood HB. Orally Bioavailable Macrocyclic Peptide That Inhibits Binding of PCSK9 to the Low Density Lipoprotein Receptor. Circulation. 2023 Jul 11;148(2):144-158. doi: 10.1161/CIRCULATIONAHA.122.063372. Epub 2023 May 1. PMID: 37125593; PMCID: PMC10325562.
2: Gupta K, Balachandran I, Foy J, Hermel M, Latif A, Krittanawong C, Slipczuk L, Baloch F, Samad Z, Virani SS. Highlights of Cardiovascular Disease Prevention Studies Presented at the 2023 American College of Cardiology Conference. Curr Atheroscler Rep. 2023 Jun;25(6):309-321. doi: 10.1007/s11883-023-01103-4. Epub 2023 Apr 22. PMID: 37086374.
3: Ballantyne CM, Banka P, Mendez G, Garcia R, Rosenstock J, Rodgers A, Mendizabal G, Mitchel Y, Catapano AL. Phase 2b Randomized Trial of the Oral PCSK9 Inhibitor MK-0616. J Am Coll Cardiol. 2023 Apr 25;81(16):1553-1564. doi: 10.1016/j.jacc.2023.02.018. Epub 2023 Mar 6. PMID: 36889610.
