Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2a,3a-Dihydroxy-androstan-16-one.

ABSTRACT: The title compound, C(19)H(28)O(4), is a new androstane steroid derivative. In the crystal, mol-ecules are linked along the a axis by inter-molecular O-H?O hydrogen bonds.

SUBMITTER: Zhang L

PROVIDER: S-EPMC2977197 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2a,3a-Dihydroxy-androstan-16-one.

Zhang Li L Fang Xin X Hao Xiao-Jiang XJ Lu Yang Y

Acta crystallographica. Section E, Structure reports online 20090731 Pt 8

The title compound, C(19)H(28)O(4), is a new androstane steroid derivative. In the crystal, mol-ecules are linked along the a axis by inter-molecular O-H⋯O hydrogen bonds. ...[more]

PMID: 21583707

Similar Datasets

3?,5?,6?-Trihy-droxy-androstan-17-one.

Project description:The title compound, C(19)H(30)O(4), is an androstan-17-one derivative synthesized from the dehydro-epiandrosterone through a sequential addition of an oxidant, followed by a trans-diaxial opening of the epoxide generated, with Bi(OTf)(3) (OTf is trifluoro-methane-sulfonate). The six-membered rings have a slightly flattened chair conformation, while the five-membered ring adopts a 14-? envelope conformation. All rings are trans fused. In the crystal, the mol-ecules are connected by O-H?O hydrogen bonds involving the hydroxyl and carbonyl groups, forming a three-dimensional network. A quantum mechanical ab initio Roothan Hartree-Fock calculation of the free mol-ecule gives bond lengths, valency angles and ring torsion angles of the free molecule at equilibrium geometry (energy minimum) close to the experimental values.

| S-EPMC3089281 | biostudies-literature

rac-(2aS,2a1 R,3aR,3a1 S,5aS,6aR)-2a-Allyl-2,4-di-chloro-2a,2a1,3a1,5a,6,6a-hexa-hydro-3aH-3-oxadi-cyclo-penta-[cd,gh]penta-len-3a-ol.

Project description:The title racemic triquinane, C14H14Cl2O2, is composed of four five-membered rings, one of which is a tetra-hydro-furan ring to which an allyl group on one side and a hydroxyl group on the other side are attached. The core of the triquinane unit has a cis-syn-cis configuration. In the crystal, the mol-ecules are linked by pairwise O-H⋯O hydrogen bonds, generating inversion dimers featuring R 2 2(8) loops.

| S-EPMC9462309 | biostudies-literature

Pseudomonas putida KT2440 cells: control vs. 2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one (DIMBOA)

Project description:Transcriptome profiling of Pseudomonas putida KT2440 comparing cells exposed for 1 hour to DIMBOA from maize (Zea mays) to unexposed cells

2012-07-09 | GSE36489 | GEO

Minipig cytochrome P450 3A, 2A and 2C enzymes have similar properties to human analogs.

Project description:BACKGROUND:The search for an optimal experimental model in pharmacology is recently focused on (mini)pigs as they seem not only to be an alternative source of cells and tissues for xenotherapy but also an alternative species for studies on drug metabolism in man due to similarities between (mini) pig and human drug metabolizing systems. The purpose of this work is to characterize minipig liver microsomal cytochromes P450 (CYPs) by comparing their N-terminal sequences with corresponding human orthologs. RESULTS:The microsomal CYPs exhibit similar activities to their human orthologous enzymes (CYP3A4, nifedipine oxidation; 2A6, coumarin 7-hydroxylation; 2D6, bufuralol 1'-hydroxylation; 2E1, p-nitrophenol hydroxylation; and 2C9, tolbutamide hydroxylation). Specific minipig CYP (2A, 2C and 3A) enzymes were partially purified and proteins identified by immunostaining (using antibodies against the respective human CYPs) were used for N-terminal amino acid sequencing. From comparisons, it can be concluded that the sequence of the first 20 amino acids at the N-terminus of minipig CYP2A is highly similar to human CYP2A6 (70% identity). The N-terminal sequence of CYP2C shared about 50% similarity with human 2C9. The results on the minipig liver microsomal CYP3A yielded identical data with those obtained for amino acid sequences of the pig CYP3A29 showing 60% identity with human CYP3A4. CONCLUSIONS:Thus, our results further support the view that minipigs may serve as model animals in pharmacological/toxicological studies with substrates of human CYP enzymes, namely, of the CYP3A and CYP2A forms.

| S-EPMC60991 | biostudies-literature

Pseudomonas putida KT2440 cells: control vs. 2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one (DIMBOA)

Project description:Transcriptome profiling of Pseudomonas putida KT2440 comparing cells exposed for 1 hour to DIMBOA from maize (Zea mays) to unexposed cells Two-condition experiment, unexposed vs. exposed, three biological replicates independantly grown and harvested. A dye swap was performed on each biological replicate for a total of six hybridizations. Each GEO Sample represents the data after merging of the technical (dye swap) replicates.

2012-07-08 | E-GEOD-36489 | biostudies-arrayexpress

Inactivated genotype 1a, 2a and 3a HCV vaccine candidates induced broadly neutralising antibodies in mice.

Project description:ObjectiveA prophylactic vaccine is needed to control the HCV epidemic, with genotypes 1-3 causing >80% of worldwide infections. Vaccine development is hampered by HCV heterogeneity, viral escape including protection of conserved neutralising epitopes and suboptimal efficacy of HCV cell culture systems. We developed cell culture-based inactivated genotype 1-3 HCV vaccine candidates to present natively folded envelope proteins to elicit neutralising antibodies.DesignHigh-yield genotype 1a, 2a and 3a HCV were developed by serial passage of TNcc, J6cc and DBN3acc in Huh7.5 cells and engineering of acquired mutations detected by next-generation sequencing. Neutralising epitope exposure was determined in cell-based neutralisation assays using human monoclonal antibodies AR3A and AR4A, and polyclonal antibody C211. BALB/c mice were immunised with processed and inactivated genotype 1a, 2a or 3a viruses using AddaVax, a homologue of the licenced adjuvant MF-59. Purified mouse and patient serum IgG were assayed for neutralisation capacity; mouse IgG and immune-sera were assayed for E1/E2 binding.ResultsCompared with the original viruses, high-yield viruses had up to ~1000 fold increased infectivity titres (peak titres: 6-7 log10 focus-forming units (FFU)/mL) and up to ~2470 fold increased exposure of conserved neutralising epitopes. Vaccine-induced IgG broadly neutralised genotype 1-6 HCV (EC50: 30-193 µg/mL; mean 71 µg/mL), compared favourably with IgG from chronically infected patients, and bound genotype 1-3 E1/E2; immune-sera endpoint titres reached up to 32 000.ConclusionHigh-yield genotype 1-3 HCV could be developed as basis for inactivated vaccine candidates inducing broadly neutralising antibodies in mice supporting further preclinical development.

| S-EPMC9933178 | biostudies-literature

(4R)-4-[(1R)-1,2-Dihydroxy-ethyl]-1-[(1R)-1-phenyl-ethyl]pyrrolidin-2-one.

Project description:The title compound, C(14)H(19)NO(3), was obtained as one of the two isomers of a Sharpless asymmetric dihydroxy-lation reaction of (1S)-1-[(1R)-1-phenyl-ethyl]-4-vinyl-pyrrolidin-2-one. The absolute stereochemistry of this isomer was determined from the known stereochemistry (R) at the bridge C atom between the phenyl and pyrrolidine rings. The mol-ecules form one-dimensional tapes along the b axis via hydrogen bonding between the carbonyl O atom and the alcohol groups of neighbouring mol-ecules. These assemble into sheets via inter-digitative stacking of the phenyl rings and C-H?O inter-actions.

| S-EPMC2960542 | biostudies-literature

Fc Gamma Receptor 3A and 2A Polymorphisms Do Not Predict Response to Rituximab in Follicular Lymphoma.

Project description:PurposePreclinical studies suggest that SNPs in the Fc gamma receptor (FCGR) genes influence response to rituximab, but the clinical relevance of this is uncertain.Experimental designWe prospectively obtained specimens for genotyping in the rituximab extended schedule or re-treatment trial (RESORT) study, in which 408 previously untreated, low tumor burden follicular lymphoma (FL) patients were treated with single agent rituximab. Patients received rituximab in 4 weekly doses and responders were randomized to rituximab re-treatment (RR) upon progression versus maintenance rituximab (MR). SNP genotyping was performed in 321 consenting patients.ResultsResponse rates to initial therapy and response duration were correlated with the FCGR3A SNP at position 158 (rs396991) and the FCGR2A SNP at position 131 (rs1801274). The response rate to initial rituximab was 71%. No FCGR genotypes or grouping of genotypes were predictive of initial response. A total of 289 patients were randomized to RR (n = 143) or to MR (n = 146). With a median follow-up of 5.5 years, the 3-year response duration in the RR arm and the MR arm was 50% and 78%, respectively. Genotyping was available in 235 of 289 randomized patients. In patients receiving RR (n = 115) or MR (n = 120), response duration was not associated with any FCGR genotypes or genotype combinations.ConclusionsBased on this analysis of treatment-naïve, low tumor burden FL, we conclude that the FCGR3A and FCGR2A SNPs do not confer differential responsiveness to rituximab.

| S-EPMC4755793 | biostudies-literature

3α,4α-Ep-oxy-5α-androstan-17β-yl acetate.

Project description:The title compound, C(21)H(32)O(3), results from modifications of the A and D rings of the aromatase substrate androstenedione. Ring A adopts a conformation between 10β-sofa and 1α,10β half-chair. Rings B and C are in slightly flattened chair conformations. Ring D approaches a 13β-envelope conformation, probably due to the acet-oxy substituent, and shows a very short Csp(3)-Csp(3) bond next to the epoxide ring, which is characteristic of 3-4 epoxides. .

| S-EPMC2968911 | biostudies-literature

16α-Bromo-17β-hydr-oxy-5α-androstan-3β-yl acetate.

Project description:The title compound, C(21)H(33)BrO(3), an inter-mediate in the synthesis of the neuromuscular blocking agent rocuronium bromide, contains two independent mol-ecules in the asymmetric unit, which have almost identical geometries: in both mol-ecules, the steroidal rings A, B and C have slightly flattened chair conformations and ring D assumes a half-chair conformation. In the crystal, O-H⋯O hydrogen bonds and weak C-H⋯O and C-H⋯Br inter-actions help to establish the packing.

| S-EPMC2983941 | biostudies-literature

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