4-(4-Boc-1-piperazinyl)-5-bromo-7H-pyrrolo[2,3-d]pyrimidine - CAS 1072027-36-1
Catalog: |
BB001998 |
Product Name: |
4-(4-Boc-1-piperazinyl)-5-bromo-7H-pyrrolo[2,3-d]pyrimidine |
CAS: |
1072027-36-1 |
Synonyms: |
4-(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 4-(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate |
Description: | 4-(4-Boc-1-piperazinyl)-5-bromo-7H-pyrrolo[2,3-d]pyrimidine (CAS# 1072027-36-1) is used as a reactant in the preparation of 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine derivatives as Akt inhibitors with antiproliferative effects. |
Molecular Weight: | 382.26 |
Molecular Formula: | C15H20BrN5O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=NC3=C2C(=CN3)Br |
InChI: | InChI=1S/C15H20BrN5O2/c1-15(2,3)23-14(22)21-6-4-20(5-7-21)13-11-10(16)8-17-12(11)18-9-19-13/h8-9H,4-7H2,1-3H3,(H,17,18,19) |
InChI Key: | CLUNNCWOKMEGMR-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 2.78040 |
Publication Number | Title | Priority Date |
CN-108822110-B | Aromatic heterocycle-containing a, β -unsaturated ketone compound and preparation method and application thereof | 20180801 |
WO-2009080682-A1 | Pyrrolo[2,3-d]pyrimidine derivatives as cgrp receptor antagonists | 20071221 |
CA-2682733-A1 | Axl kinase inhibitors | 20070413 |
JP-2010523712-A | AXL kinase inhibitors useful for the treatment of cancer or hyperproliferation | 20070413 |
KR-20090130065-A | Akinase kinase inhibitors useful for treating cancer or hyperproliferative disorders | 20070413 |
Complexity: | 436 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 381.08004 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 381.08004 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 74.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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