A 76889 | CAS# 134805-77-9 | HIV-1 Protease Inhibitor

MedKoo Cat#: 571185 | Name: A 76889

Description:

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

A 76889 is a HIV-1 protease inhibitor.

Chemical Structure

A 76889

CAS#134805-77-9

Theoretical Analysis

MedKoo Cat#: 571185

Name: A 76889

CAS#: 134805-77-9

Chemical Formula: C44H58N8O6

Exact Mass: 794.4479

Molecular Weight: 795.00

Elemental Analysis: C, 66.48; H, 7.35; N, 14.10; O, 12.07

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

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

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).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 795.00 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: 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.