T-1105 - CAS 55321-99-8

Name: T-1105
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB029001
Product Name:	T-1105
CAS:	55321-99-8
Synonyms:	3,4-Dihydro-3-oxo-2-pyrazinecarboxamide; 3-Hydroxypyrazinamide; 3-Hydroxy-2-pyrazinecarboxamide; NSC 163503; 3-Hydroxypyrazine-2-carboxamide; 3-Oxo-3,4-dihydropyrazine-2-carboxamide; 3-Hydroxypyrazine-2-carboxylic acid amide; Pyrazinecarboxamide, 3,4-dihydro-3-oxo-

Technical Data

IUPAC Name:	2-oxo-1H-pyrazine-3-carboxamide
Description:	T-1105, a structural analogue of T-705, is a broad-spectrum viral polymerase inhibitor that inhibits RNA viral polymerase after conversion to a ribonucleoside triphosphate (RTP) metabolite. It shows antiviral activity against various RNA viruses, including Zika virus (ZIKV), influenza virus, arenaviruses, bunyaviruses, West Nile virus (WNV), yellow fever virus (YFV) and foot-and-mouth disease virus (FMDV). It can be formed by nicotinamide mononucleotide adenylyltransferase.
Molecular Weight:	139.11
Molecular Formula:	C5H5N3O2
Canonical SMILES:	C1=CN=C(C(=O)N1)C(=O)N
InChI:	InChI=1S/C5H5N3O2/c6-4(9)3-5(10)8-2-1-7-3/h1-2H,(H2,6,9)(H,8,10)
InChI Key:	SZPBAPFUXAADQV-UHFFFAOYSA-N
Boiling Point:	640.8±55.0°C at 760 mmHg
Melting Point:	>182°C (dec.)
Purity:	≥96%
Density:	1.63±0.1 g/cm3 (Predicted)
Solubility:	Soluble in DMSO (Slightly), Aqueous Base (Slightly)
Appearance:	Pale Brown to Brown Solid
Storage:	Store at 2-8°C under inert atmosphere
MDL:	MFCD00233977
LogP:	-0.01860

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113461622-A	Synthesis method of Favipiravir intermediate 6-bromo-3-hydroxypyrazine-2-formamide	20210811
CN-113121457-A	Synthesis process of Favipiravir intermediate 3, 6-dichloro-2-cyanopyrazine	20210423
CN-112851589-A	Preparation method of Favipiravir intermediate 6-bromo-3-hydroxypyrazine-2-formamide	20210125
CN-111662938-A	Application of nitrile hydratase in catalyzing hydration reaction of cyanopyrazine compound to generate amide pyrazine compound	20200623
CN-111704582-A	Preparation method of Favipiravir and derivatives thereof	20200623

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.038176411
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	139.038176411
Rotatable Bond Count:	1
Topological Polar Surface Area:	84.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.9