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MedKoo Cat#: 524727 | Name: CI-1029

Description:

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

CI-1029 is an inhibitor of HIV protease, potenat against mutant HIV protease and resistant HIV strains. It contains excellent activity against the protease enzyme, good antiviral efficacy in cellular assays, and promising bioavailability in several animal species.

Chemical Structure

CI-1029
CI-1029
CAS#207736-05-8

Theoretical Analysis

MedKoo Cat#: 524727

Name: CI-1029

CAS#: 207736-05-8

Chemical Formula: C28H37NO4S

Exact Mass: 483.2443

Molecular Weight: 483.66

Elemental Analysis: C, 69.53; H, 7.71; N, 2.90; O, 13.23; S, 6.63

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
CI-1029; CI 1029; CI1029; UNII-VDH375TRL9; PD178390; PD 178390.
IUPAC/Chemical Name
(S)-6-(4-aminophenethyl)-3-((2-(tert-butyl)-4-(hydroxymethyl)-5-methylphenyl)thio)-4-hydroxy-6-isopropyl-5,6-dihydro-2H-pyran-2-one
InChi Key
ZUBPKHVCBGWWGO-NDEPHWFRSA-N
InChi Code
InChI=1S/C28H37NO4S/c1-17(2)28(12-11-19-7-9-21(29)10-8-19)15-23(31)25(26(32)33-28)34-24-13-18(3)20(16-30)14-22(24)27(4,5)6/h7-10,13-14,17,30-31H,11-12,15-16,29H2,1-6H3/t28-/m0/s1
SMILES Code
Cc1cc(c(cc1CO)C(C)(C)C)SC2=C(C[C@@](OC2=O)(CCc3ccc(cc3)N)C(C)C)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, not in water
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 483.66 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: Wilcox HC, Conner KR, Caine ED. Association of alcohol and drug use disorders and completed suicide: an empirical review of cohort studies. Drug Alcohol Depend. 2004 Dec 7;76 Suppl:S11-9. Review. PubMed PMID: 15555812. 2: Hagen SE, Domagala J, Gajda C, Lovdahl M, Tait BD, Wise E, Holler T, Hupe D, Nouhan C, Urumov A, Zeikus G, Zeikus E, Lunney EA, Pavlovsky A, Gracheck SJ, Saunders J, VanderRoest S, Brodfuehrer J. 4-Hydroxy-5,6-dihydropyrones as inhibitors of HIV protease: the effect of heterocyclic substituents at C-6 on antiviral potency and pharmacokinetic parameters. J Med Chem. 2001 Jul 5;44(14):2319-32. PubMed PMID: 11428926.