Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N,N,2,5,7-Penta-phenyl-2,5,7-triaza-bicyclo-[2.2.1]heptane-3,6-diamine.

ABSTRACT: In the title compound, C(34)H(31)N(5), the observed molecular geometry suggests that anomeric effects are present in terms of short C-N bond lengths and reduced pyramidality of the N atoms.

SUBMITTER: Taheri A

PROVIDER: S-EPMC2977394 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N,N,2,5,7-Penta-phenyl-2,5,7-triaza-bicyclo-[2.2.1]heptane-3,6-diamine.

Taheri Amir A Moosavi Sayed Mojtaba SM

Acta crystallographica. Section E, Structure reports online 20090701 Pt 8

In the title compound, C(34)H(31)N(5), the observed molecular geometry suggests that anomeric effects are present in terms of short C-N bond lengths and reduced pyramidality of the N atoms. ...[more]

PMID: 21583441

Similar Datasets

(1R,4R,7S)-1,7-Dimethyl-7-(phenyl-sulfonyl-meth-yl)spiro-[bicyclo-[2.2.1]heptane-2,2'-1,3-dioxolane].

Project description:In the title compound, C(18)H(24)O(4)S, the chiral bicyclo-[2.2.1]heptane group is not symmetrical due to the influence of the substituents. The angle between the three-atom bridge plane and the four-atom planes of the boat-shaped six-membered ring are 55.07?(19) and 56.24?(19)°. The bridgehead angle is 92.75?(17)°.

| S-EPMC2915015 | biostudies-literature

Genotoxic effect of 2,2'-bis(bicyclo[2.2.1] heptane) on bacterial cells.

Project description:The toxic effect of strained hydrocarbon 2,2'-bis (bicyclo[2.2.1]heptane) (BBH) was studied using whole-cell bacterial lux-biosensors based on Escherichia coli cells in which luciferase genes are transcriptionally fused with stress-inducible promoters. It was shown that BBH has the genotoxic effect causing bacterial SOS response however no alkylating effect has been revealed. In addition to DNA damage, there is an oxidative effect causing the response of OxyR/S and SoxR/S regulons. The most sensitive to BBH lux-biosensor was E. coli pSoxS-lux which reacts to the appearance of superoxide anion radicals in the cell. It is assumed that the oxidation of BBH leads to the generation of reactive oxygen species, which provide the main contribution to the genotoxicity of this substance.

| S-EPMC7444485 | biostudies-literature

catena-Poly[[diaqua-copper(II)]-?-7-oxa-bicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato].

Project description:In the crystal structure of the title compound, [Cu(C(8)H(8)O(5))(H(2)O)(2)](n), the Cu(II) cation is in a Jahn-Teller distorted six-coordination by two O atoms from water molecules, by the bridging O atom from the bicyclo moiety, by two carboxylate O atoms from two different carboxylate groups and by one carboxylate O atom from a symmetry-related bridging ligand.The polymeric structure is made up from double-strands propagating parallel to the c axis that are held together via inter-molecular O-H?O hydrogen bonds.

| S-EPMC2968279 | biostudies-literature

rac-(rel-1R,2R,4S)-Spiro-[bicyclo-[2.2.1]heptane-2,3'-indol]-2'-amine.

Project description:In the racemic title compound, C(14)H(16)N(2), the aromatic ring component of the amino-indoline system occupies the endo cavity of the norbornane component. The aromatic ring lies at an angle of 74.12 (5)° to the plane defined by the four C atoms that comprises the rigid part of the boat-shaped six-membered ring of the norbornane unit. Pairs of mol-ecules assemble in the crystal structure, forming centrosymmetric hydrogen-bonded dimers via pairs of N-H⋯N hydrogen bonds through the syn H atom of the amine group.

| S-EPMC3051556 | biostudies-literature

tert-Butyl 3-oxo-2-oxa-5-aza-bicyclo-[2.2.1]heptane-5-carboxyl-ate.

Project description:The title compound, C(10)H(15)NO(4), also known as N-tert-butyl-oxycarbonyl-allohydr-oxy-l-proline lactone, is quite similar to N-acetyl-allohydr-oxy-l-proline lactone [Lenstra, Petit & Geise (1979 ?). Cryst. Struct. Commun. 8, 1023-1029], whereby both carbonyl groups point roughly in the same direction because of the trans conformation of the peptide bond.

| S-EPMC2959344 | biostudies-literature

Crystal structure of benzyl 3-oxo-2-oxa-5-aza-bicyclo-[2.2.1]heptane-5-carboxyl-ate.

Project description:The title compound, C13H13NO4 (also known as N-benzyl-oxycarbonyl-4-hy-droxy-l-proline lactone), crystallizes with two mol-ecules in the asymmetric unit. They have slightly different conformations: the fused ring systems almost overlap, but different C-O-C-C torsion angles for the central chains of -155.5 (2) and -178.6 (2)° lead to different twists for the terminal benzene ring. In the crystal, the mol-ecules are linked by C-H⋯O inter-actions, generating a three-dimensional network. The absolute structure was established based on an unchanging chiral centre in the synthesis.

| S-EPMC4518953 | biostudies-literature

Bicyclo[2.2.1]heptane containing <i>N</i>,<i>N</i>'-diarylsquaramide CXCR2 selective antagonists as anti-cancer metastasis agents.

Project description:CXCR1 and CXCR2 are CXC chemokine receptors (CXCRs), corresponding to cytokines of the CXC chemokine family. CXCR2 was found to be 77% homologous to CXCR1. Antagonism of the chemokine receptor CXCR2 has been proposed as a new strategy for the treatment of metastatic cancer. In order to find a CXCR2 selective antagonist, a bicyclo[2.2.1]heptane containing N,N'-diarylsquaramide (compound 2e) was identified by introducing a bridge ring system into the N,N'-diarylsquaramide skeleton, and it exhibited good CXCR2 antagonistic activity (CXCR2IC50 = 48 nM) and good selectivity (CXCR1IC50/CXCR2IC50 = 60.4). Furthermore, an in vitro biological assay of compound 2e also demonstrated its good anti-cancer metastatic effect against the pancreatic cancer cell line CFPAC1. In addition, compound 2e showed an extremely high stability in simulated intestinal fluid (SIF) and simulated gastric fluid (SGF), as well as in rat and human plasma, but not in rat and human liver microsomes. In vivo pharmacokinetic studies in rats indicated that 2e has an excellent PK profile (10 mg kg-1 po, C max = 2863 ng mL-1, t 1/2 = 2.58 h). Moreover, molecular docking was further implemented to propose the preponderant configuration of compound 2e, providing important and useful guidelines for further development.

| S-EPMC9078949 | biostudies-literature

Sodium (1R,2S,5S)-2-hydr-oxy-6,6-dimethyl-bicyclo-[3.1.1]heptane-2-carboxyl-ate penta-hydrate.

Project description:In the title compound, Na(+)·C(10)H(15)O(3) (-)·5H(2)O, the vertices of a distorted octa-hedron centred on the Na(+) cation are defined by six O atoms of water mol-ecules. The edge-sharing Na(H(2)O)(6) octa-hedra form a chain extended along the b-axis direction with adjacent Na(+) cations related by a twofold screw symmetry operation. The organic anion, which is not in close contact with the Na(+ )cation, is hydrogen-bonded to an uncoordinated water mol-ecule and to water mol-ecules of the Na(H(2)O)(6) octa-hedra.

| S-EPMC2914966 | biostudies-literature

Tris(2-amino-1,3-thia-zole-?N)(7-oxa-bicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato-?O,O,O)cadmium(II) dihydrate.

Project description:In the crystal structure of the title complex, [Cd(C(8)H(8)O(5))(C(3)H(4)N(2)S)(3)]·2H(2)O, the Cd(II) atom exhibits a slightly distorted octa-hedral CdO(3)N(3) coordination, defined by the bridging O atom of the bicyclo-heptane unit, two O atoms from the carboxyl-ate groups and by three N atoms from three 2-amino-thia-zole ligands. Uncoordinated lattice water mol-ecules are also present in the crystal structure. N-H?O and O-H?O hydrogen-bonding inter-actions link the components into a three-dimensional structure.

| S-EPMC3007392 | biostudies-literature

catena-Poly[[diaqua-cobalt(II)]-?(2)-7-oxa-bicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato-?O,O,O:O].

Project description:The polymeric title complex, [Co(C(8)H(8)O(5))(H(2)O)(2)](n) was synthesized by reaction of cobalt acetate with 7-oxabicyclo-[2,2,1]heptane-2,3-dicarb-oxy-lic anhydride. The Co(II) ion is six-coordinated in a distorted octa-hedral environment, binding to two water O atoms, to the ether O atom of the bicyclo-heptane unit, to two carboxyl-ate O atoms from two different carboxyl-ate groups of the same anion and to one carboxyl-ate O atom from a symmetry-related anion. The bridging character of the dianion leads to the formation of ribbons along [001]. The ribbons are linked into a layered network parallel to (010) by several O-H?O hydrogen-bonding inter-actions involving the coordinating water mol-ecules as donors and the carboxyl-ate O atoms of neighbouring ribbons as acceptors. The crystal under investigation was an inversion twin.

| S-EPMC3274880 | biostudies-other

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data