WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 565399
CAS#: NONE
Description: 5172-mcP1P3 is an inhibitor of HCV NS3-NS4A Serine Proteinase.
MedKoo Cat#: 565399
Name: 5172-mcP1P3
CAS#: NONE
Chemical Formula: C37H50N6O9S
Exact Mass: 754.336
Molecular Weight: 754.9
Elemental Analysis: C, 58.87; H, 6.68; N, 11.13; O, 19.07; S, 4.25
This product is not in stock, which may be available by custom synthesis.
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Synonym: 5172-mcP1P3; 5172 mcP1P3; 5172mcP1P3
IUPAC/Chemical Name: tert-Butyl ((2R,6S,13aS,14aR,16aS,Z)-14a-((cyclopropylsulfonyl)carbamoyl)-2-((3-ethyl-7-methoxyquinoxalin-2-yl)oxy)-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl)carbamate
InChi Key: YCYCBCSJYGZXLL-LUTRIBIWSA-N
InChi Code: InChI=1S/C37H50N6O9S/c1-6-26-32(39-29-18-23(50-5)14-17-27(29)38-26)51-24-19-30-31(44)41-37(34(46)42-53(48,49)25-15-16-25)20-22(37)12-10-8-7-9-11-13-28(33(45)43(30)21-24)40-35(47)52-36(2,3)4/h10,12,14,17-18,22,24-25,28,30H,6-9,11,13,15-16,19-21H2,1-5H3,(H,40,47)(H,41,44)(H,42,46)/b12-10-/t22-,24-,28+,30+,37-/m1/s1
SMILES Code: O=C(OC(C)(C)C)N[C@H]1CCCCC/C=C\[C@@]2([H])[C@](C2)(C(NS(=O)(C3CC3)=O)=O)NC([C@@](C[C@@H](OC4=NC5=CC(OC)=CC=C5N=C4CC)C6)([H])N6C1=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: 2934.99.9001
The following data is based on the product molecular weight 754.9 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: Matthew AN, Zephyr J, Hill CJ, Jahangir M, Newton A, Petropoulos CJ, Huang W, Kurt-Yilmaz N, Schiffer CA, Ali A. Hepatitis C Virus NS3/4A Protease Inhibitors Incorporating Flexible P2 Quinoxalines Target Drug Resistant Viral Variants. J Med Chem. 2017 Jul 13;60(13):5699-5716. doi: 10.1021/acs.jmedchem.7b00426. Epub 2017 Jun 19. PubMed PMID: 28594175; PubMed Central PMCID: PMC5748155.
