A 76889

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

MedKoo CAT#: 571185

CAS#: 134805-77-9

Description: A 76889 is a HIV-1 protease inhibitor.


Price and Availability

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A 76889 is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 571185
Name: A 76889
CAS#: 134805-77-9
Chemical Formula: C44H58N8O6
Exact Mass: 794.4479
Molecular Weight: 795.0
Elemental Analysis: C, 66.48; H, 7.35; N, 14.10; O, 12.07


Synonym: A 76889; A-76889; A76889

IUPAC/Chemical Name: L-Iditol, 1,2,5,6-tetradeoxy-2,5-bis((3-methyl-2-(((methyl(2-pyridinylmethyl)amino)carbonyl)amino)-1-oxobutyl)amino)-1,6-diphenyl-, (2(S)),5(S))-

InChi Key: QPVWMQXBTCSLCB-RRUVMKMCSA-N

InChi Code: InChI=1S/C44H58N8O6/c1-29(2)37(49-43(57)51(5)27-33-21-13-15-23-45-33)41(55)47-35(25-31-17-9-7-10-18-31)39(53)40(54)36(26-32-19-11-8-12-20-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-22-14-16-24-46-34/h7-24,29-30,35-40,53-54H,25-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37-,38-,39+,40+/m0/s1

SMILES Code: O[C@H]([C@@H](NC([C@@H](NC(N(C)CC1=NC=CC=C1)=O)C(C)C)=O)CC2=CC=CC=C2)[C@H](O)[C@@H](NC([C@@H](NC(N(C)CC3=NC=CC=C3)=O)C(C)C)=O)CC4=CC=CC=C4


Technical Data

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).

Harmonized System Code:
293490


References

1: Holzman TF, Kohlbrenner WE, Weigl D, Rittenhouse J, Kempf D, Erickson J. Inhibitor stabilization of human immunodeficiency virus type-2 proteinase dimer formation. J Biol Chem. 1991 Oct 15;266(29):19217-20. PubMed PMID: 1918040.

2: Powell DJ, Bur D, Wlodawer A, Gustchina A, Payne SL, Dunn BM, Kay J. Expression, characterisation and mutagenesis of the aspartic proteinase from equine infectious anaemia virus. Eur J Biochem. 1996 Oct 15;241(2):664-74. Erratum in: Eur J Biochem 1997 May 15;246(1):258. PubMed PMID: 8917470.

3: Gustchina A, Kervinen J, Powell DJ, Zdanov A, Kay J, Wlodawer A. Structure of equine infectious anemia virus proteinase complexed with an inhibitor. Protein Sci. 1996 Aug;5(8):1453-65. PubMed PMID: 8844837; PubMed Central PMCID: PMC2143478.

4: Lee CY, Yang PK, Tzou WS, Hwang MJ. Estimates of relative binding free energies for HIV protease inhibitors using different levels of approximations. Protein Eng. 1998 Jun;11(6):429-37. PubMed PMID: 9725621.