ChemicalBook CAS DataBase List 1H-Indole-2-carboxamide, N-[(1S)-1-[[[(1S)-3-hydroxy-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]propyl]amino]carbonyl]-3-methylbutyl]-4-methoxy- (9CI)

1H-Indole-2-carboxamide, N-[(1S)-1-[[[(1S)-3-hydroxy-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]propyl]amino]carbonyl]-3-methylbutyl]-4-methoxy- (9CI)

Product Name1H-Indole-2-carboxamide, N-[(1S)-1-[[[(1S)-3-hydroxy-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]propyl]amino]carbonyl]-3-methylbutyl]-4-methoxy- (9CI)
CAS870153-29-0
CBNumberCB28129239
MFC24H32N4O6
MW472.53
MDL NumberMFCD33029312
MOL File870153-29-0.mol
MSDS FileSDS

Chemical Properties

Boiling point	865.8±65.0 °C(Predicted)
Density	1.264±0.06 g/cm3(Predicted)
storage temp.	Store at -20°C
solubility	DMSO : 250 mg/mL (529.07 mM; Need ultrasonic)
form	A solid
pka	12.76±0.10(Predicted)
color	White to off-white
InChIKey	QDIMHKWNHMVDJB-WBAXXEDZSA-N
SMILES	COC1=C2C(NC(C(N[C@@H](CC(C)C)C(N[C@H](C(CO)=O)C[C@H]3C(NCC3)=O)=O)=O)=C2)=CC=C1
FDA UNII	B5R5IQ1D64
UNSPSC Code	12352200
NACRES	NA.77

Safety

Symbol(GHS)

Signal word

Warning

Hazard statements

H302

Precautionary statements

P264-P270-P301+P312-P330-P501

WGK Germany

WGK 3

Storage Class

11 - Combustible Solids

NFPA 704:

	0
2		0

1H-Indole-2-carboxamide, N-[(1S)-1-[[[(1S)-3-hydroxy-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]propyl]amino]carbonyl]-3-methylbutyl]-4-methoxy- (9CI) Price

Product number	Packaging	Price	Product description	Buy
Sigma-Aldrich SML3314	5MG	$76.2	PF-00835231 ≥98% (HPLC)	Buy
Sigma-Aldrich SML3314	25MG	$309	PF-00835231 ≥98% (HPLC)	Buy
Cayman Chemical 36047	1mg	$62	PF-00835231 ≥98%	Buy
Cayman Chemical 36047	5mg	$214	PF-00835231 ≥98%	Buy
Cayman Chemical 36047	10mg	$365	PF-00835231 ≥98%	Buy

1H-Indole-2-carboxamide, N-[(1S)-1-[[[(1S)-3-hydroxy-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]propyl]amino]carbonyl]-3-methylbutyl]-4-methoxy- (9CI) Chemical Properties,Usage,Production

Uses

PF-00835231 is a CoV-2 cysteine 3C-like protease (3CLpro) inhibitor, with IC50s of 0.27 nM and 4 nM for SARS CoV-2 and SARS CoV-1 3CLpro, respectively. PF-00835231 is developed for the research of anti-SARS-CoV-2/COVID-19. PF-00835231 can inhibit cell infections and also suppress infections in animal models[1][2][3].

Definition

ChEBI: PF-00835231 is a primary alcohol resulting from the cleavage of the phosphate group of the prodrug PF-07304814. It is an inhibitor of SARS-CoV-1 and -2 main protease (3CLpro) and exhibits potent in vitro antiviral activity. It has a role as an anticoronaviral agent, an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor and a drug metabolite. It is an aromatic ether, a L-leucine derivative, an indolecarboxamide, a member of pyrrolidin-2-ones, a secondary carboxamide and a primary alcohol.

Biological Activity

Potent and selective corona virus hCoV, SARS CoV-1 & CoV-2 main protease (Mpro; 3CLpro) substrate site Cys145 covalent inhibitor with low host cytotoxicity.

in vivo

PF-00835231 reduces the number of multifocal lung lesions and lung viral load in the SARS-CoV-MA15 infected BALB/c mouse model, being effective both early and late in the viral infection^[3].

IC 50

HIV-1; HRV3C: 2.79 μM (IC₅₀)

References

[1] Robert L Hoffman, et al. Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19. J Med Chem. 2020 Nov 12;63(21):12725-12747. DOI:10.1021/acs.jmedchem.0c01063
[2] de Vries M, et al. A comparative analysis of SARS-CoV-2 antivirals in human airway models characterizes 3CLpro inhibitor PF-00835231 as a potential new treatment for COVID-19. bioRxiv [Preprint]. 2021 Feb 19:2020.08.28.272880. DOI:10.1101/2020.08.28.272880
[3] Wujun Chen, wt al. Review of preclinical data of PF-07304814 and its active metabolite derivatives against SARS-CoV-2 infection. Front Pharmacol. 2022 Nov 11:13:1035969. DOI:10.3389/fphar.2022.1035969

Preparation Products And Raw materials

1H-Indole-2-carboxamide, N-[(1S)-1-[[[(1S)-3-hydroxy-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]propyl]amino]carbonyl]-3-methylbutyl]-4-methoxy- (9CI) Suppliers

Supplier	Tel	Email	Country	ProdList	Advantage
BOC Sciences	1-631-485-4226; 16314854226	info@bocsci.com	United States	9920	65
ShangHai Caerulum Pharma Discovery Co., Ltd.	18149758185 18149758185	sales-cpd@caerulumpharma.com	China	3493	58
Shanghai XingMo Biotechnology Co., Ltd.	+86 13524779951; 13524779951	2075692521@qq.com	China	294	55
Shanghai EFE Biological Technology Co., Ltd.	021-65675885 18964387627	info@efebio.com	China	9799	58
Shanghai YuanYe Biotechnology Co., Ltd.	15026964105	2881489226@qq.com	China	87240	60
Beijing Solarbio Science & Tecnology Co., Ltd.	17801761073 18101056239	3193328036@qq.com	China	28149	68
Shanghai Han-Xiang Chemical Co., Ltd.	17754423994	candy@biochempartner.com	China	3057	58
TargetMol Chemicals Inc.	+1-781-999-5354; +1-00000000000	marketing@targetmol.com	United States	32431	58
Zhengzhou anmousse chemical products co. LTD	15981811963 18737195735	483339295@qq.com	China	8130	58
Jinan Jiuli Biotechnology Co. , Ltd.	15865264761	486064515@qq.com	China	5000	58

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1H-Indole-2-carboxamide, N-[(1S)-1-[[[(1S)-3-hydroxy-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]propyl]amino]carbonyl]-3-methylbutyl]-4-methoxy- (9CI) Spectrum

870153-29-0, 1H-Indole-2-carboxamide, N-[(1S)-1-[[[(1S)-3-hydroxy-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]propyl]amino]carbonyl]-3-methylbutyl]-4-methoxy- (9CI)Related Search

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