(1alpha,5alpha,6alpha)-6-Amino-3-Boc-3-azabicyclo[3.1.0]hexane - CAS 273206-92-1
Catalog: |
BB019528 |
Product Name: |
(1alpha,5alpha,6alpha)-6-Amino-3-Boc-3-azabicyclo[3.1.0]hexane |
CAS: |
273206-92-1 |
Synonyms: |
(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester; tert-butyl (1S,5R)-6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate |
IUPAC Name: | tert-butyl (1S,5R)-6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate |
Description: | (1alpha,5alpha,6alpha)-6-Amino-3-Boc-3-azabicyclo[3.1.0]hexane (CAS# 273206-92-1) is an intermediate in the preparation of a novel series of Histone Deacetylase (HDAC) Inhibitors, demonstrating class I selectivity and good oral bioavailability. It can also be used in the synthesis of Alatrofloxacin Mesylate (A511400). |
Molecular Weight: | 198.26 |
Molecular Formula: | C10H18N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2C(C1)C2N |
InChI: | InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-4-6-7(5-12)8(6)11/h6-8H,4-5,11H2,1-3H3/t6-,7+,8? |
InChI Key: | UWWZMHWHRBGMIT-DHBOJHSNSA-N |
Appearance: | Low melting solid |
MDL: | MFCD15111971 |
LogP: | 1.44860 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021151865-A1 | Modulators of the integrated stress response pathway | 20200128 |
US-2021130342-A1 | Pyridazinones as parp7 inhibitors | 20191030 |
WO-2021087025-A1 | Pyridazinones as parp7 inhibitors | 20191030 |
WO-2021057256-A1 | Heterocyclic nitrogen compound, pharmaceutical composition containing same, preparation method therefor and use thereof | 20190929 |
US-2020290998-A1 | Novel imidazole-pyrazole derivatives | 20190308 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.136827821 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.136827821 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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