4,4-Difluoro-L-prolinamide hydrochloride - CAS 426844-51-1

Name: 4,4-Difluoro-L-prolinamide hydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025201
Product Name:	4,4-Difluoro-L-prolinamide hydrochloride
CAS:	426844-51-1
Synonyms:	2-Pyrrolidinecarboxamide, 4,4-difluoro-, hydrochloride (1:1), (2S)-; 2-Pyrrolidinecarboxamide, 4,4-difluoro-, monohydrochloride, (2S)-; (2S)-2-Aminocarbonyl-4,4-difluoropyrrolidine hydrochloride; (2S)-4,4-Difluoro-2-pyrrolidinecarboxamide hydrochloride; (S)-4,4-Difluoropyrrolidine-2-carboxamide hydrochloride

Technical Data

Related CAS:	719267-96-6 (free base)
IUPAC Name:	(2S)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
Description:	4,4-Difluoro-L-prolinamide hydrochloride, a novel compound with promising antineoplastic properties, has demonstrated potent inhibitory effects on key enzymes implicated in the aberrant growth and proliferation of cancer cells.
Molecular Weight:	186.59
Molecular Formula:	C5H9ClF2N2O
Canonical SMILES:	C1C(NCC1(F)F)C(=O)N.Cl
InChI:	InChI=1S/C5H8F2N2O.ClH/c6-5(7)1-3(4(8)10)9-2-5;/h3,9H,1-2H2,(H2,8,10);1H/t3-;/m0./s1
InChI Key:	RRQDQYAEZGKHOB-DFWYDOINSA-N
Melting Point:	>201°C (dec.)
Purity:	≥95%
Solubility:	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance:	Pale Grey to Light Grey Solid
Storage:	Store at -20°C
MDL:	MFCD06797014
LogP:	1.30000

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
WO-2021055641-A1	Fibroblast activation protein (fap)-targeted imaging and therapy of cancers and other fibrotic and inflammatory diseases	20190917
WO-2019170115-A1	Pyrrolidineamide derivatives and uses thereof	20180308
AU-2019230883-A1	Pyrrolidineamide derivatives and uses thereof	20180308
EP-3762364-A1	Pyrrolidineamide derivatives and uses thereof	20180308
US-2021053918-A1	Pyrrolidineamide derivatives and uses thereof	20180308

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	186.0371469
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	186.0371469
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0