A 80987 | CAS# 144141-97-9 | HIV-1 Protease Inhibitor

MedKoo Cat#: 571218 | Name: A 80987

Description:

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

A 80987 is an HIV-1 protease inhibitor.

Chemical Structure

A 80987

CAS#144141-97-9

Theoretical Analysis

MedKoo Cat#: 571218

Name: A 80987

CAS#: 144141-97-9

Chemical Formula: C37H43N5O6

Exact Mass: 653.3213

Molecular Weight: 653.78

Elemental Analysis: C, 67.98; H, 6.63; N, 10.71; O, 14.68

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 80987; A-80987; A80987; Ro 32-2175; Ro32-2175; Ro-32-2175; Ro 322175; Ro322175; Ro-322175;

IUPAC/Chemical Name

2-Oxa-4,7,12-triazatridecan-13-oic acid, 9-hydroxy-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-1-(2-pyridinyl)-, 3-pyridinylmethyl ester, (5S,8S,9S,11S)-

InChi Key

SSIBMWPFXYSVEK-CUPIEXAXSA-N

InChi Code

InChI=1S/C37H43N5O6/c1-26(2)34(42-37(46)48-25-30-17-9-10-19-39-30)35(44)41-32(21-28-14-7-4-8-15-28)33(43)22-31(20-27-12-5-3-6-13-27)40-36(45)47-24-29-16-11-18-38-23-29/h3-19,23,26,31-34,43H,20-22,24-25H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)/t31-,32-,33-,34-/m0/s1

SMILES Code

O=C(OCC1=CC=CN=C1)N[C@@H](CC2=CC=CC=C2)C[C@H](O)[C@H](CC3=CC=CC=C3)NC([C@H](C(C)C)NC(OCC4=NC=CC=C4)=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

>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 653.78 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: Bilello JA, Bilello PA, Stellrecht K, Leonard J, Norbeck DW, Kempf DJ, Robins T, Drusano GL. Human serum alpha 1 acid glycoprotein reduces uptake, intracellular concentration, and antiviral activity of A-80987, an inhibitor of the human immunodeficiency virus type 1 protease. Antimicrob Agents Chemother. 1996 Jun;40(6):1491-7. PubMed PMID: 8726025; PubMed Central PMCID: PMC163355. 2: Kempf DJ, Sham HL, Marsh KC, Flentge CA, Betebenner D, Green BE, McDonald E, Vasavanonda S, Saldivar A, Wideburg NE, Kati WM, Ruiz L, Zhao C, Fino L, Patterson J, Molla A, Plattner JJ, Norbeck DW. Discovery of ritonavir, a potent inhibitor of HIV protease with high oral bioavailability and clinical efficacy. J Med Chem. 1998 Feb 12;41(4):602-17. PubMed PMID: 9484509. 3: Kempf DJ, Marsh KC, Fino LC, Bryant P, Craig-Kennard A, Sham HL, Zhao C, Vasavanonda S, Kohlbrenner WE, Wideburg NE, et al. Design of orally bioavailable, symmetry-based inhibitors of HIV protease. Bioorg Med Chem. 1994 Sep;2(9):847-58. PubMed PMID: 7712122. 4: Erickson-Viitanen S, Klabe RM, Cawood PG, O'Neal PL, Meek JL. Potency and selectivity of inhibition of human immunodeficiency virus protease by a small nonpeptide cyclic urea, DMP 323. Antimicrob Agents Chemother. 1994 Jul;38(7):1628-34. PubMed PMID: 7979296; PubMed Central PMCID: PMC284603. 5: Mekapati SB, Sivakumar R, Gupta SP. Quantitative structure-activity relationship of some HIV-1 protease inhibitors: a Fujita-Ban type analysis. J Enzyme Inhib. 2001;16(3):185-97. PubMed PMID: 11697040. 6: Kempf DJ, Marsh KC, Denissen JF, McDonald E, Vasavanonda S, Flentge CA, Green BE, Fino L, Park CH, Kong XP, et al. ABT-538 is a potent inhibitor of human immunodeficiency virus protease and has high oral bioavailability in humans. Proc Natl Acad Sci U S A. 1995 Mar 28;92(7):2484-8. PubMed PMID: 7708670; PubMed Central PMCID: PMC42242. 7: Wang GT, Li S, Wideburg N, Krafft GA, Kempf DJ. Synthetic chemical diversity: solid phase synthesis of libraries of C2 symmetric inhibitors of HIV protease containing diamino diol and diamino alcohol cores. J Med Chem. 1995 Aug 4;38(16):2995-3002. PubMed PMID: 7636862.