PD 135390

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MedKoo CAT#: 525843

CAS#: 150351-31-8

Description: 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

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PD 135390
CAS# 150351-31-8
Instruction

Theoretical Analysis

MedKoo Cat#: 525843
Name: PD 135390
CAS#: 150351-31-8
Chemical Formula: C37H61N5O7S2
Exact Mass: 751.40
Molecular Weight: 752.040
Elemental Analysis: C, 59.09; H, 8.18; N, 9.31; O, 14.89; S, 8.53

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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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:

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.