6-Bromo-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-ethanol - CAS 849630-44-0
Catalog: |
BB037383 |
Product Name: |
6-Bromo-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-ethanol |
CAS: |
849630-44-0 |
Synonyms: |
2-(6-bromo-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol; 2-(6-bromo-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol |
IUPAC Name: | 2-(6-bromo-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol |
Description: | 6-Bromo-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-ethanol (CAS# 849630-44-0) is a nonsteroidal anti-inflammatory agent, inhibits NF-κB activity, resulting in strong inhibition of osteoclast formation/activity and multiple myeloma cell growth. |
Molecular Weight: | 352.27 |
Molecular Formula: | C17H22BrNO2 |
Canonical SMILES: | CCC1=C2C(=CC(=C1)Br)C3=C(N2)C(OCC3)(CC)CCO |
InChI: | InChI=1S/C17H22BrNO2/c1-3-11-9-12(18)10-14-13-5-8-21-17(4-2,6-7-20)16(13)19-15(11)14/h9-10,19-20H,3-8H2,1-2H3 |
InChI Key: | FEDANGZXMSYBKD-UHFFFAOYSA-N |
LogP: | 4.05320 |
Publication Number | Title | Priority Date |
US-2014255426-A1 | Wnt pathway inhibitors for treating viral infections | 20130311 |
US-2006166947-A1 | Multiple myeloma treatments | 20041001 |
CA-2540289-A1 | Substituted indole derivatives | 20031002 |
CA-2540343-A1 | Indole derivatives | 20031002 |
EP-1673373-A2 | Indole derivatives | 20031002 |
PMID | Publication Date | Title | Journal |
18608871 | 20080801 | The role of non-steroidal anti-inflammatory drugs in the risk of development and treatment of hematologic malignancies | Leukemia & lymphoma |
17849446 | 20071001 | SDX-308 and SDX-101, non-steroidal anti-inflammatory drugs, as therapeutic candidates for treating hematologic malignancies including myeloma | Archiv der Pharmazie |
17186240 | 20070901 | R-etodolac (SDX-101) and the related indole-pyran analogues SDX-308 and SDX-309 potentiate the antileukemic activity of standard cytotoxic agents in primary chronic lymphocytic leukaemia cells | Cancer chemotherapy and pharmacology |
17992265 | 20070901 | Treatment of multiple myeloma with SDX-308 | Drug news & perspectives |
17440681 | 20070801 | Pharmacological profiling of novel non-COX-inhibiting indole-pyran analogues of etodolac reveals high solid tumour activity of SDX-308 in vitro | Investigational new drugs |
Complexity: | 367 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 351.08339 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 351.08339 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 45.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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