WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 526516
CAS#: 177577-60-5
Description: U 104489, also known as PNU-104489, is a new class of human immunodeficiency virus type 1 (HIV-1)-specific inhibitor. U-104489 demonstrated potent activity against BHA-P-resistant HIV-1MF harboring the Pro-236->Leu RT substitution and significantly suppressed the replication of clinical isolates of HIV-1 resistant to both delavirdine (BHAP U-90152T) and zidovudine. Biochemical and phenotypic characterization of AAP-BHAPresistant HIV-1IIIB variants revealed that high-level resistance to the AAP-BHAPs was mediated by a Gly-190->Glu substitution in RT, which had a deleterious effect on the integrity and enzymatic activity of virion-associated RT heterodimers, as well as the replication capacity of these resistant viruses.
MedKoo Cat#: 526516
Name: U 104489
CAS#: 177577-60-5
Chemical Formula: C26H36N6O3S
Exact Mass: 512.257
Molecular Weight: 512.673
Elemental Analysis: C, 60.91; H, 7.08; N, 16.39; O, 9.36; S, 6.25
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Synonym: U 104489; U-104489; U104489; PNU-104489; PNU104489; PNU 104489
IUPAC/Chemical Name: N-(2-(4-((3-(tert-butylamino)pyridin-2-yl)(ethyl)amino)piperidine-1-carbonyl)-1H-indol-5-yl)methanesulfonamide
InChi Key: BUYBIVUAJHJDTC-UHFFFAOYSA-N
InChi Code: InChI=1S/C26H36N6O3S/c1-6-32(24-22(8-7-13-27-24)29-26(2,3)4)20-11-14-31(15-12-20)25(33)23-17-18-16-19(30-36(5,34)35)9-10-21(18)28-23/h7-10,13,16-17,20,28-30H,6,11-12,14-15H2,1-5H3
SMILES Code: CC(NC1=CC=CN=C1N(C2CCN(C(C(N3)=CC4=C3C=CC(NS(=O)(C)=O)=C4)=O)CC2)CC)(C)C
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
The following data is based on the product molecular weight 512.673 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: Olmsted RA, Slade DE, Kopta LA, Poppe SM, Poel TJ, Newport SW, Rank KB, Biles C, Morge RA, Dueweke TJ, Yagi Y, Romero DL, Thomas RC, Sharma SK, Tarpley WG. (Alkylamino) piperidine bis(heteroaryl)piperizine analogs are potent, broad-spectrum nonnucleoside reverse transcriptase inhibitors of drug-resistant isolates of human immunodeficiency virus type 1 (HIV-1) and select for drug-resistant variants of HIV-1IIIB with reduced replication phenotypes. J Virol. 1996 Jun;70(6):3698-705. PubMed PMID: 8648704; PubMed Central PMCID: PMC190245.
2: Fan N, Rank KB, Slade DE, Poppe SM, Evans DB, Kopta LA, Olmsted RA, Thomas RC, Tarpley WG, Sharma SK. A drug resistance mutation in the inhibitor binding pocket of human immunodeficiency virus type 1 reverse transcriptase impairs DNA synthesis and RNA degradation. Biochemistry. 1996 Jul 30;35(30):9737-45. PubMed PMID: 8703945.
