WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 533597
Description: Aba-S2-NFV1 is a novel Trojan Horse Prodrug for the Inhibition of P-Glycoprotein with Anti-HIV-1 Activity.
MedKoo Cat#: 533597
Chemical Formula: C54H73N9O7S3
Exact Mass: 1055.4795
Molecular Weight: 1056.414
Elemental Analysis: C, 61.40; H, 6.97; N, 11.93; O, 10.60; S, 9.10
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IUPAC/Chemical Name: ((1S)-4-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)cyclopent-2-en-1-yl)methyl 4-((4-(3-(((2R,3R)-4-((3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl)-3-hydroxy-1-(phenylthio)butan-2-yl)carbamoyl)-2-methylphenoxy)-4-oxobutyl)disulfaneyl)butanoate
InChi Key: UYDWUMXOVDVOOD-WREFQMBQSA-N
InChi Code: InChI=1S/C54H73N9O7S3/c1-34-41(51(67)58-42(32-71-40-15-6-5-7-16-40)44(64)30-62-29-37-14-9-8-13-36(37)28-43(62)52(68)61-54(2,3)4)17-10-18-45(34)70-47(66)20-12-26-73-72-25-11-19-46(65)69-31-35-21-24-39(27-35)63-33-56-48-49(57-38-22-23-38)59-53(55)60-50(48)63/h5-7,10,15-18,21,24,33,35-39,42-44,64H,8-9,11-14,19-20,22-23,25-32H2,1-4H3,(H,58,67)(H,61,68)(H3,55,57,59,60)/t35-,36+,37-,39?,42+,43+,44-/m1/s1
SMILES Code: O=C(OC[C@@H]1C=CC(N2C=NC3=C(NC4CC4)N=C(N)N=C23)C1)CCCSSCCCC(OC5=CC=CC(C(N[C@H]([C@H](O)CN6C[C@@]7([H])CCCC[C@@]7([H])C[C@H]6C(NC(C)(C)C)=O)CSC8=CC=CC=C8)=O)=C5C)=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 1056.414 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|