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PF00835231
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WARNING: This product is for research use only, not for human or veterinary use.

Hodoodo CAT#: H463239

CAS#: 870153-29-0

Description: PF00835231 is a SARS CoV-1 3CLpro inhibitor for potential treatment of COVID-19.

Chemical Structure

PF00835231

CAS# 870153-29-0

Instruction

Theoretical Analysis

Hodoodo Cat#: H463239
Name: PF00835231
CAS#: 870153-29-0
Chemical Formula: C24H32N4O6
Exact Mass: 472.23
Molecular Weight: 472.542
Elemental Analysis: C, 61.00; H, 6.83; N, 11.86; O, 20.31

Price and Availability

Size	Price	Availability
5mg	USD 350	2 Weeks
10mg	USD 650	2 Weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. Hodoodo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Related CAS #: 870153-29-0 70153-89-2 (racemic) 870153-90-5 870153-91-6

Synonym: PF 00835231; PF-00835231; PF00835231; PF 835231; PF-835231; PF835231;

IUPAC/Chemical Name: N-((S)-1-(((S)-4-hydroxy-3-oxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-4-methoxy-1H-indole-2-carboxamide

InChi Key: QDIMHKWNHMVDJB-WBAXXEDZSA-N

InChi Code: InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1

SMILES Code: OCC([C@H](C[C@@H]1CCNC1=O)NC([C@H](CC(C)C)NC(C2=CC3=C(OC)C=CC=C3N2)=O)=O)=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:

Instruction:

View handling instruction

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 472.54 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

Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Hoffman RL, Kania RS, Brothers MA, Davies JF, Ferre RA, Gajiwala KS, He M, Hogan RJ, Kozminski K, Li LY, Lockner JW, Lou J, Marra MT, Mitchell LJ Jr, Murray BW, Nieman JA, Noell S, Planken SP, Rowe T, Ryan K, Smith GJ 3rd, Solowiej JE, Steppan CM, Taggart B. Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19. J Med Chem. 2020 Oct 15:acs.jmedchem.0c01063. doi: 10.1021/acs.jmedchem.0c01063. Epub ahead of print. PMID: 33054210; PMCID: PMC7571312.

2: Boras B, Jones RM, Anson BJ, Arenson D, Aschenbrenner L, Bakowski MA, Beutler N, Binder J, Chen E, Eng H, Hammond J, Hoffman R, Kadar EP, Kania R, Kimoto E, Kirkpatrick MG, Lanyon L, Lendy EK, Lillis JR, Luthra SA, Ma C, Noell S, Obach RS, O'Brien MN, O'Connor R, Ogilvie K, Owen D, Pettersson M, Reese MR, Rogers T, Rossulek MI, Sathish JG, Steppan C, Ticehurst M, Updyke LW, Zhu Y, Wang J, Chatterjee AK, Mesecar AD, Anderson AS, Allerton C. Discovery of a Novel Inhibitor of Coronavirus 3CL Protease as a Clinical Candidate for the Potential Treatment of COVID-19. bioRxiv [Preprint]. 2020 Sep 13:2020.09.12.293498. doi: 10.1101/2020.09.12.293498. PMID: 32935104; PMCID: PMC7491518.

3: de Vries M, Mohamed AS, Prescott RA, Valero-Jimenez AM, Desvignes L, O'Connor R, Steppan C, Anderson AS, Binder J, Dittmann M. Comparative study of a 3CL pro inhibitor and remdesivir against both major SARS-CoV-2 clades in human airway models. bioRxiv [Preprint]. 2020 Aug 28:2020.08.28.272880. doi: 10.1101/2020.08.28.272880. PMID: 32869028; PMCID: PMC7457613.