Potassium [2-(Cbz-amino)ethyl]trifluoroborate - CAS 926280-84-4

Name: Potassium [2-(Cbz-amino)ethyl]trifluoroborate
Brand: BOC Sciences
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Catalog:	BB040588
Product Name:	Potassium [2-(Cbz-amino)ethyl]trifluoroborate
CAS:	926280-84-4
Synonyms:	potassium;trifluoro-[2-(phenylmethoxycarbonylamino)ethyl]boranuide; potassium;trifluoro-[2-(phenylmethoxycarbonylamino)ethyl]boranuide

Technical Data

IUPAC Name:	potassium;trifluoro-[2-(phenylmethoxycarbonylamino)ethyl]boranuide
Description:	Potassium [2-(Cbz-amino)ethyl]trifluoroborate (CAS# 926280-84-4) is used in preparation of oxopyridinylalkanamides as human integrin α4β7 inhibitors.
Molecular Weight:	285.11
Molecular Formula:	C10H12F3NO2BK
Canonical SMILES:	[B-](CCNC(=O)OCC1=CC=CC=C1)(F)(F)F.[K+]
InChI:	InChI=1S/C10H12BF3NO2.K/c12-11(13,14)6-7-15-10(16)17-8-9-4-2-1-3-5-9;/h1-5H,6-8H2,(H,15,16);/q-1;+1
InChI Key:	STXOIKJBESFMEO-UHFFFAOYSA-N
MDL:	MFCD28101490
LogP:	3.15110

Publication Number	Title	Priority Date
CA-3014192-A1	Thienopyridine carboxamides as ubiquitin-specific protease inhibitors	20160212
EP-3414251-B1	Thienopyrazine carboxamides as ubiquitin-specific protease inhibitors	20160212
US-2019359628-A1	Thienopyrazine Carboxamides as Ubiquitin-Specific Protease Inhibitors	20160212
US-2020017525-A1	Thienopyridine Carboxamides as Ubiquitin-Specific Protease Inhibitors	20160212
US-10889592-B2	Thienopyrazine carboxamides as ubiquitin-specific protease inhibitors	20160212

Complexity:	248
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	285.0550248
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	285.0550248
Rotatable Bond Count:	5
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0