2-Boc-8-bromo-1,2,3,4-tetrahydroisoquinoline - CAS 893566-75-1
Catalog: |
BB039439 |
Product Name: |
2-Boc-8-bromo-1,2,3,4-tetrahydroisoquinoline |
CAS: |
893566-75-1 |
Synonyms: |
8-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester; tert-butyl 8-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate |
IUPAC Name: | tert-butyl 8-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate |
Description: | 2-Boc-8-bromo-1,2,3,4-tetrahydroisoquinoline (CAS# 893566-75-1) is an Amide compound; having BET proteolysis-inducing action, and medicinal application thereof. |
Molecular Weight: | 312.20 |
Molecular Formula: | C14H18BrNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2=C(C1)C(=CC=C2)Br |
InChI: | InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-8-7-10-5-4-6-12(15)11(10)9-16/h4-6H,7-9H2,1-3H3 |
InChI Key: | GKXSAKJDUDGJFB-UHFFFAOYSA-N |
Appearance: | Solid |
LogP: | 3.68020 |
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-2020009176-A1 | Amide compound having bet proteolysis-inducing action and medicinal application thereof | 20180704 |
JP-2020186251-A | Amide compounds with BET proteolysis-inducing action and their uses as pharmaceuticals | 20180704 |
JP-6744516-B2 | Amide compound having BET proteolysis-inducing action and use thereof as a medicine | 20180704 |
JP-WO2020009176-A1 | Amide compound having a BET proteolysis-inducing action and use thereof as a medicine | 20180704 |
CN-112543764-A | Amide compound with BET proteolysis induction effect and medical application thereof | 20180704 |
Complexity: | 313 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 311.05209 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 311.05209 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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