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561-65-9,MFCD00042685
Catalog No.:AA00DCTO

561-65-9 | (8S,9S,10R,11S,13R,14S,17S)-11-Hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one

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1mg
98% D4
2 weeks  
$7,062.00   $4,943.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00DCTO
Chemical Name:
(8S,9S,10R,11S,13R,14S,17S)-11-Hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
CAS Number:
561-65-9
Molecular Formula:
C21H30O5
Molecular Weight:
362.4599
MDL Number:
MFCD00042685
SMILES:
OCC(=O)[C@H]1CC[C@@H]2[C@]1(CO)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
Properties
Computed Properties
 
Complexity:
655  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
3  
XLogP3:
0.7  

Literature

Title: A case of primary selective hypoaldosteronism carrying three mutations in the aldosterone synthase (Cyp11b2) gene.

Journal: Gene 20120525

Title: 18-hydroxycorticosterone, 18-hydroxycortisol, and 18-oxocortisol in the diagnosis of primary aldosteronism and its subtypes.

Journal: The Journal of clinical endocrinology and metabolism 20120301

Title: The eye as a window to rare endocrine disorders.

Journal: Indian journal of endocrinology and metabolism 20120101

Title: Mineralocorticoid hypertension.

Journal: Indian journal of endocrinology and metabolism 20111001

Title: Application of a ligand-based theoretical approach to derive conversion paths and ligand conformations in CYP11B2-mediated aldosterone formation.

Journal: Journal of computational chemistry 20110801

Title: Fission yeast Schizosaccharomyces pombe as a new system for the investigation of corticosterone methyloxidase deficiency-causing mutations.

Journal: The Journal of steroid biochemistry and molecular biology 20110301

Title: Adrenocortical causes of hypertension.

Journal: International journal of hypertension 20110101

Title: CYP17A1 intron mutation causing cryptic splicing in 17α-hydroxylase deficiency.

Journal: PloS one 20110101

Title: [18-Hydroxycorticosterone (18-OH-B)].

Journal: Nihon rinsho. Japanese journal of clinical medicine 20100701

Title: Synthesis, biological evaluation, and molecular modeling of 1-benzyl-1H-imidazoles as selective inhibitors of aldosterone synthase (CYP11B2).

Journal: Journal of medicinal chemistry 20100225

Title: Regulation of adrenal aldosterone production by serine protease prostasin.

Journal: Journal of biomedicine & biotechnology 20100101

Title: Pseudohypoaldosteronism type 1 due to a novel mutation in the mineralocorticoid receptor gene.

Journal: Hormone research in paediatrics 20100101

Title: Liver lesion detection and characterization in patients with colorectal cancer: a comparison of low radiation dose non-enhanced PET/CT, contrast-enhanced PET/CT, and liver MRI.

Journal: Journal of computer assisted tomography 20080101

Title: Pharmacological causes of hyperprolactinemia.

Journal: Therapeutics and clinical risk management 20071001

Title: Construction of 3D models of the CYP11B family as a tool to predict ligand binding characteristics.

Journal: Journal of computer-aided molecular design 20070801

Title: Measurement of 18-hydroxycorticosterone during adrenal vein sampling for primary aldosteronism.

Journal: The Journal of clinical endocrinology and metabolism 20070701

Title: [18-hydroxycorticosterone (18-OH -B)].

Journal: Nihon rinsho. Japanese journal of clinical medicine 20050801

Title: Differential expression and function of beacon in the rat adrenal cortex and medulla.

Journal: International journal of molecular medicine 20050701

Title: Determination of corticosterone and 17-hydroxycorticosterone in plasma and urine samples by sweeping techniques using micellar electrokinetic chromatography.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20040305

Title: Reference values for urinary steroids in Japanese newborn infants: gas chromatography/mass spectrometry in selected ion monitoring.

Journal: Endocrine journal 20031201

Title: Ghrelin, an endogenous ligand for the growth hormone-secretagogue receptor, is expressed in the human adrenal cortex.

Journal: International journal of molecular medicine 20030801

Title: Adrenocortical zonation and ACTH.

Journal: Microscopy research and technique 20030615

Title: Chromatographic system for the simultaneous measurement of plasma 18-hydroxy-11-deoxycorticosterone and 18-hydroxycorticosterone by radioimmunoassay: reference data for neonates and infants and its application in aldosterone-synthase deficiency.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20030305

Title: Determination of corticosterone in mouse plasma by a sweeping technique using micellar electrokinetic chromatography.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20030305

Title: Norbormide enhances late steps of steroid-hormone synthesis in rat and mouse adrenal cortex.

Journal: The Journal of steroid biochemistry and molecular biology 20030301

Title: Ghrelin and growth hormone secretagogue receptor are expressed in the rat adrenal cortex: Evidence that ghrelin stimulates the growth, but not the secretory activity of adrenal cells.

Journal: FEBS letters 20030211

Title: Analysis of biological samples by gas chromatography-mass spectrometry without a reference standard: measurement of urinary 18-hydroxytetrahydro-11-dehydrocorticosterone excretion rate in human subjects.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20030205

Title: Baboon CYP11B1: the localization and catalytic activity in baboon adrenal tissue.

Journal: Endocrine research 20021101

Title: Mutations in aldosterone synthase gene of Milan hypertensive rats: phenotypic consequences.

Journal: American journal of physiology. Endocrinology and metabolism 20020301

Title: The effect of amino-acid substitutions I112P, D147E and K152N in CYP11B2 on the catalytic activities of the enzyme.

Journal: European journal of biochemistry 20020201

Title: ['High pouch output' syndrome. Role of mineralocorticoid diagnosis after restorative proctocolectomy].

Journal: Der Chirurg; Zeitschrift fur alle Gebiete der operativen Medizen 20011201

Title: Effects of 18-hydroxylated steroids on corticosteroid production by human aldosterone synthase and 11beta-hydroxylase.

Journal: The Journal of clinical endocrinology and metabolism 20010901

Title: Type 1 aldosterone synthase deficiency presenting in a middle-aged man.

Journal: The Journal of clinical endocrinology and metabolism 20010301

Title: Aldosterone synthase deficiency type I with no documented homozygous mutations in the CYP11B2 gene.

Journal: European journal of endocrinology 20010101

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SDS
Tags:561-65-9 Molecular Formula|561-65-9 MDL|561-65-9 SMILES|561-65-9 (8S,9S,10R,11S,13R,14S,17S)-11-Hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one