A 80987

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

MedKoo CAT#: 571218

CAS#: 144141-97-9

Description: A 80987 is an HIV-1 protease inhibitor.


Price and Availability

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A 80987 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#: 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


Synonym: A 80987; A-80987; A80987

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


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: 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.