Pramipexole Impurity 28 - CAS 136-95-8

Name: Pramipexole Impurity 28
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB008486
Product Name:	Pramipexole Impurity 28
CAS:	136-95-8
Synonyms:	benzo[d]thiazol-2-amine; 2-Benzothiazolamine; 2-Aminobenzothiazole; 2-Iminobenzothiazoline

Technical Data

IUPAC Name:	1,3-benzothiazol-2-amine
Description:	An impurity of Pramipexole which is a thiazole derivative usually used as a D2-receptor agonist.
Molecular Weight:	150.20
Molecular Formula:	C7H6N2S
Canonical SMILES:	C1=CC=C2C(=C1)N=C(S2)N
InChI:	InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)
InChI Key:	UHGULLIUJBCTEF-UHFFFAOYSA-N
Boiling Point:	307.5 °C at 760 mmHg
Melting Point:	128-131 °C
Purity:	96.0 % (GC)
Density:	1.383 g/cm³
Solubility:	Soluble in DMSO, Chloroform, Methanol
Appearance:	White solid
Storage:	Store at -20 °C
Decomposition:	Dangerous, When heated to decomposition, It emits highly toxic fumes
MDL:	MFCD00005785
LogP:	2.45970
Vapor Pressure:	0.000112 [mmHg]

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, P391, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021126120-A1	3/4-((2e,6e)-3,7,11-trimethyldodeca-2,6,10-trienylthio)benzamide derivative compounds	20191220
WO-2021119808-A1	Antiviral compounds, compositions and methods of use	20191216
WO-2021125803-A1	Novel pyrimidin derivative and use thereof	20191216
US-2021163795-A1	Pressure-sensitive adhesive sheet	20191129
EP-3827665-A1	Mammal kinase inhibitors to promote in vitro embryogenesis induction of plants	20191126

PMID	Publication Date	Title	Journal
31085520	20190801	Novel Protease Inhibitors Containing C-5-Modified bis-Tetrahydrofuranylurethane and Aminobenzothiazole as P2 and P2' Ligands That Exert Potent Antiviral Activity against Highly Multidrug-Resistant HIV-1 with a High Genetic Barrier against the Emergence of Drug Resistance	Antimicrobial agents and chemotherapy
29763303	20180524	Design and Synthesis of Highly Potent HIV-1 Protease Inhibitors Containing Tricyclic Fused Ring Systems as Novel P2 Ligands: Structure-Activity Studies, Biological and X-ray Structural Analysis	Journal of medicinal chemistry
29463535	20180501	GRL-079, a Novel HIV-1 Protease Inhibitor, Is Extremely Potent against Multidrug-Resistant HIV-1 Variants and Has a High Genetic Barrier against the Emergence of Resistant Variants	Antimicrobial agents and chemotherapy
29550817	20180101	Molecular Insights into hERG Potassium Channel Blockade by Lubeluzole	Cellular physiology and biochemistry : international journal of experimental cellular physiology, biochemistry, and pharmacology
25953703	20150801	In Vitro, Ex Vivo, and In Vivo Determination of Thyroid Hormone Modulating Activity of Benzothiazoles	Toxicological sciences : an official journal of the Society of Toxicology

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.02516937
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	150.02516937
Rotatable Bond Count:	0
Topological Polar Surface Area:	67.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9