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