MedKoo Cat#: 525843 | Name: PD 135390

Description:

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

PD 135390 is a novel HIV-1 protease inhibitors identified by rational selection. The human immunodeficiency virus (HIV-1), associated with the AIDS (acquired immunodeficiency syndrome) epidemic, encodes an aspartyl protease that is essential for polyprotein processing in the virus (Navia et al., 1989). It has been demonstrated that inactivation of the protease either catalytically or by an inhibitor prevents infectious virion formation (Kohl et al., 1988; Darke et al., 1989). The acquired knowledge of key molecular interactions occurring between inhibitors and aspartyl proteases, as well as the structural similarities between HIV-1 protease and human renin was used to rationally select candidates for HIV-1 screening from the pool of analogs designed as renin inhibitors. A minimal number of chosen compounds were tested in an HIV-1 protease assay system. Two structurally novel peptides emerged as potent enzymatic protease inhibitors. This study highlights the selection process and characterizes the antiviral properties of the two novel analogs.

Chemical Structure

PD 135390
PD 135390
CAS#150351-31-8

Theoretical Analysis

MedKoo Cat#: 525843

Name: PD 135390

CAS#: 150351-31-8

Chemical Formula: C37H61N5O7S2

Exact Mass: 751.4012

Molecular Weight: 752.04

Elemental Analysis: C, 59.09; H, 8.18; N, 9.31; O, 14.89; S, 8.53

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 #
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Synonym
PD-135390; PD135390; PD 135390
IUPAC/Chemical Name
5-((2S)-N-(1-(allylthio)-2-amino-2-oxoethyl)-2-(morpholine-4-sulfonamido)-3-phenylpropanamido)-N-butyl-6-cyclohexyl-4-hydroxy-2-isopropylhexanamide
InChi Key
YJBSPOIWTBZECQ-DDVBCEDLSA-N
InChi Code
InChI=1S/C37H61N5O7S2/c1-5-7-18-39-35(45)30(27(3)4)26-33(43)32(25-29-16-12-9-13-17-29)42(37(34(38)44)50-23-6-2)36(46)31(24-28-14-10-8-11-15-28)40-51(47,48)41-19-21-49-22-20-41/h6,8,10-11,14-15,27,29-33,37,40,43H,2,5,7,9,12-13,16-26H2,1,3-4H3,(H2,38,44)(H,39,45)/t30?,31-,32?,33?,37?/m0/s1
SMILES Code
O=C(N)C(SCC=C)N(C([C@H](CC1=CC=CC=C1)NS(=O)(N2CCOCC2)=O)=O)C(CC3CCCCC3)C(O)CC(C(NCCCC)=O)C(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
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

Preparing Stock Solutions

The following data is based on the product molecular weight 752.04 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: Humblet CC, Lunney EA, Buckheit RW Jr, Doggett C, Wong R, Antonucci TK. Characterization of two structurally novel HIV-1 protease inhibitors identified by rational selection. Antiviral Res. 1993 May;21(1):73-84. PubMed PMID: 8317922.