MedKoo Cat#: 462847 | Name: U 95133

Description:

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

U 95133 is a potent, broad-spectrum nonnucleoside reverse transcriptase inhibitor of drug-resistant isolates of human immunodeficiency virus type 1.

Chemical Structure

U 95133
U 95133
CAS#177577-59-2

Theoretical Analysis

MedKoo Cat#: 462847

Name: U 95133

CAS#: 177577-59-2

Chemical Formula: C25H34N6O3S

Exact Mass: 498.2413

Molecular Weight: 498.65

Elemental Analysis: C, 60.22; H, 6.87; N, 16.85; O, 9.63; S, 6.43

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
U-95133; U95133; 1-MSAI-PAP;
IUPAC/Chemical Name
N-(2-(4-((3-(tert-butylamino)pyridin-2-yl)(methyl)amino)piperidine-1-carbonyl)-1H-indol-5-yl)methanesulfonamide
InChi Key
LBKLPWXCROFAEP-UHFFFAOYSA-N
InChi Code
InChI=1S/C25H34N6O3S/c1-25(2,3)28-21-7-6-12-26-23(21)30(4)19-10-13-31(14-11-19)24(32)22-16-17-15-18(29-35(5,33)34)8-9-20(17)27-22/h6-9,12,15-16,19,27-29H,10-11,13-14H2,1-5H3
SMILES Code
O=S(NC1=CC(C=C(C(N2CCC(N(C)C3=C(NC(C)(C)C)C=CC=N3)CC2)=O)N4)=C4C=C1)(C)=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
>3 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

Preparing Stock Solutions

The following data is based on the product molecular weight 498.65 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.

Recalculate based on batch purity %
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. doi: 10.1128/JVI.70.6.3698-3705.1996. PMID: 8648704; PMCID: PMC190245.