11beta,17alpha-dihydroxy-4-pregnene-3,20-dione
11beta,17alpha-dihydroxy-4-pregnene-3,20-dione structure
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Common Name | 11beta,17alpha-dihydroxy-4-pregnene-3,20-dione | ||
|---|---|---|---|---|
| CAS Number | 641-77-0 | Molecular Weight | 346.46100 | |
| Density | 1.21g/cm3 | Boiling Point | 523.9ºC at 760 mmHg | |
| Molecular Formula | C21H30O4 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 284.7ºC | |
| Symbol |
GHS02, GHS06, GHS08 |
Signal Word | Danger | |
Use of 11beta,17alpha-dihydroxy-4-pregnene-3,20-dione21-Deoxycortisol is an endogenous metabolite. 21-Deoxycortisol is a sign of congenital adrenal hyperplasia[1]. |
Summary: 11beta,17alpha-dihydroxy-4-pregnene-3,20-dione, also known as 21-deoxycortisol, with CAS number 641-77-0, has a molecular formula of C21H30O4 and a molecular weight of 346.46100. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 11beta,17alpha-dihydroxy-4-pregnene-3,20-dione |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 21-Deoxycortisol is an endogenous metabolite. 21-Deoxycortisol is a sign of congenital adrenal hyperplasia[1]. |
|---|---|
| Related Catalog | |
| Target |
Human Endogenous Metabolite |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.21g/cm3 |
|---|---|
| Boiling Point | 523.9ºC at 760 mmHg |
| Molecular Formula | C21H30O4 |
| Molecular Weight | 346.46100 |
| Flash Point | 284.7ºC |
| Exact Mass | 346.21400 |
| PSA | 74.60000 |
| LogP | 2.80920 |
| Index of Refraction | 1.576 |
| InChIKey | LCZBQMKVFQNSJR-UJPCIWJBSA-N |
| SMILES | CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C |
| Storage condition | ?20°C |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS02, GHS06, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H225-H301 + H311 + H331-H370 |
| Precautionary Statements | P210-P260-P280-P301 + P310-P311 |
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
| Hazard Codes | F,T |
| Risk Phrases | 11-23/24/25-39/23/24/25 |
| Safety Phrases | 7-16-36/37-45 |
| RIDADR | UN1230 - class 3 - PG 2 - Methanol, solution |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 0 | |
CAS#:33767-06-5
CAS#:114585-39-6
CAS#:114160-28-0![1-[(3R,5R,8S,9S,10S,11R,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone Structure](https://image.chemsrc.com/caspic/379/603-96-3.png)
CAS#:603-96-3
CAS#:74263-44-8
CAS#:641-78-1This table lists relevant public references with title, journal and publication metadata for this compound.
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An LC-MS/MS method for steroid profiling during adrenal venous sampling for investigation of primary aldosteronism.
J. Steroid Biochem. Mol. Biol. 145 , 75-84, (2015) Steroid profiling for diagnosis of endocrine disorders featuring disordered production of steroid hormones is now possible from advances in liquid chromatography with tandem mass spectrometry (LC-MS/M... |
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Hirsutism and acne in women: coordinated radioimmunoassays for eight relevant plasma steroids.
Clin. Chem. 40(12) , 2296-305, (1994) We developed and validated a coordinated set of RIAs for the following eight steroids in single small aliquots (< or = 1 mL) of plasma: androstenedione, dehydroepiandrosterone, 11-deoxycortisol, 21-de... |
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Superior discriminating value of ACTH-stimulated serum 21-deoxycortisol in identifying heterozygote carriers for 21-hydroxylase deficiency.
Clin. Endocrinol. (Oxf.) 73(6) , 700-6, (2010) Congenital adrenal hyperplasia caused by classic 21-hydroxylase deficiency (21OHD) is an autosomal recessive disorder with a high prevalence of asymptomatic heterozygote carriers (HTZ) in the general ... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: Flow Cytometric HTS Screen for inhibitors of the ABC transporter ABCB6 for Validation...
Source: NMMLSC
Target: ATP-binding cassette sub-family B member 6, mitochondrial [Homo sapiens]
External Id: UNMCMD_ABCB6_1o_ValidationSet
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Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 21-deoxycortisol |
| 21-Deoxyhydrocortisone |
| 21-Dehydrohydrocortisone |
| 21-DESOXYCORTISOL |
| 21 DEOXYCORTISOL 21-DESOXYCORTISOL |
| 4-pregnene-11-B-17-A-diol-3-20-dione |
| 4-Pregnen-11,17a-diol-3,20-dione-d8 |
| EINECS 211-375-7 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of 11beta,17alpha-dihydroxy-4-pregnene-3,20-dione? |
| A: Boiling point of 11beta,17alpha-dihydroxy-4-pregnene-3,20-dione is 523.9ºC at 760 mmHg. |
| Q: What are the storage conditions for 11beta,17alpha-dihydroxy-4-pregnene-3,20-dione? |
| A: Storage conditions for 11beta,17alpha-dihydroxy-4-pregnene-3,20-dione: ?20°C. |
| Q: What is the molecular weight of 11beta,17alpha-dihydroxy-4-pregnene-3,20-dione? |
| A: Molecular weight of 11beta,17alpha-dihydroxy-4-pregnene-3,20-dione is 346.46100. |
| Q: What is the CAS number of 11beta,17alpha-dihydroxy-4-pregnene-3,20-dione? |
| A: CAS number of 11beta,17alpha-dihydroxy-4-pregnene-3,20-dione is 641-77-0. |
| Q: What is the LogP of 11beta,17alpha-dihydroxy-4-pregnene-3,20-dione? |
| A: LogP of 11beta,17alpha-dihydroxy-4-pregnene-3,20-dione is 2.80920. |
| Q: What English synonyms does 11beta,17alpha-dihydroxy-4-pregnene-3,20-dione have? |
| A: English synonyms of 11beta,17alpha-dihydroxy-4-pregnene-3,20-dione: 21-deoxycortisol, 21-Deoxyhydrocortisone, 21-Dehydrohydrocortisone, 21-DESOXYCORTISOL, 21 DEOXYCORTISOL 21-DESOXYCORTISOL, 4-pregnene-11-B-17-A-diol-3-20-dione, 4-Pregnen-11,17a-diol-3,20-dione-d8, EINECS 211-375-7. |
| Q: What is the safety information for 11beta,17alpha-dihydroxy-4-pregnene-3,20-dione? |
| A: Safety information for 11beta,17alpha-dihydroxy-4-pregnene-3,20-dione: 7-16-36/37-45. |
| Q: What is the molecular formula of 11beta,17alpha-dihydroxy-4-pregnene-3,20-dione? |
| A: Molecular formula of 11beta,17alpha-dihydroxy-4-pregnene-3,20-dione is C21H30O4. |
| Q: What is the InChIKey of 11beta,17alpha-dihydroxy-4-pregnene-3,20-dione? |
| A: InChIKey of 11beta,17alpha-dihydroxy-4-pregnene-3,20-dione is LCZBQMKVFQNSJR-UJPCIWJBSA-N. |
| Q: What is the SMILES notation of 11beta,17alpha-dihydroxy-4-pregnene-3,20-dione? |
| A: SMILES notation of 11beta,17alpha-dihydroxy-4-pregnene-3,20-dione is CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |