Budesonide - Moligand™, ≥98% , Agonist of Glucocorticoid receptor;Agonist of Mineralocorticoid receptor;Agonist of Progesterone receptor, CAS No.51333-22-3, Agonist of Glucocorticoid receptor;Agonist of Mineralocorticoid receptor;Agonist of Progesterone receptor

CAS: 51333-22-3 Cat. No.: B129941 Molecular Weight: 430.53 EC Number: 257-139-7
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
Synonyms
BUDESONIDE COMPONENT OF SYMBICORT | Entocort EC | Pulmaxan turbohaler | Pulmicort Topinasal | Budesonide; 16?,17-[(1RS)-butylidenebis(oxy)]-11?,21-dihydroxypregna-1,4-diene-3,20-dione | 16-alpha,17-alpha-Butylidenedioxy-11-beta,21-dihydroxy-1,4-pregnadien
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
50mg
B129941-50mg
3

$22.90

$33.90
Save $11.00 (32.45%)
100mg
B129941-100mg
5

$34.90

$46.90
Save $12.00 (25.59%)
250mg
B129941-250mg
5

$57.90

$79.90
Save $22.00 (27.53%)
1g
B129941-1g
4

$157.90

$259.90
Save $102.00 (39.25%)
5g
B129941-5g
1

$742.90

$899.90
Save $157.00 (17.45%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Roquinimex is a quinoline derivative immunostimulant which increases NK cell activity and macrophage cytotoxicity; inhibits angiogenesis and reduces the secretion of TNF alpha.

Specifications

Synonyms
BUDESONIDE COMPONENT OF SYMBICORT | Entocort EC | Pulmaxan turbohaler | Pulmicort Topinasal | Budesonide; 16?, 17-[(1RS)-butylidenebis(oxy)]-11?, 21-dihydroxypregna-1, 4-diene-3, 20-dione | 16-alpha, 17-alpha-Butylidenedioxy-11-beta, 21-dihydroxy-1, 4-pregnadien
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
Synthetic anti-inflammatory glucocorticoid that displays chemopreventive activity. Prevents formation of lung adenomas and adenocarcinomas in mice following inhalation or oral administration. Reverses DNA hypomethylation and modulates expression of cancer
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
AGONIST
Mechanism of action
Agonist of Glucocorticoid receptor;Agonist of Mineralocorticoid receptor;Agonist of Progesterone receptor
Purity
≥98%
Product Properties
ALogP2.5
Names and Identifiers
Pubchem Sid488195221
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488195221
Canonical SmilesCCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C
IUPAC Name(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
InChIKeyVOVIALXJUBGFJZ-KWVAZRHASA-N
INCHI1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1
Isomeric SMILES CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C
WGK Germany 3
RTECS TU3723000
Molecular Weight 430.53
Reaxy-Rn 25086959
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25086959&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
SubclassHydroxysteroids
Intermediate Tree Nodes Not available
Direct Parent21-hydroxysteroids
Alternative Parents Gluco/mineralocorticoids, progestogins and derivatives  20-oxosteroids  3-oxo delta-1,4-steroids  11-beta-hydroxysteroids  Delta-1,4-steroids  Alpha-hydroxy ketones  1,3-dioxolanes  Secondary alcohols  Cyclic ketones  Cyclic alcohols and derivatives  Oxacyclic compounds  Acetals  Primary alcohols  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic heteropolycyclic compounds
Substituents Progestogin-skeleton - 21-hydroxysteroid - Pregnane-skeleton - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Oxosteroid - Delta-1,4-steroid - Meta-dioxolane - Alpha-hydroxy ketone - Cyclic alcohol - Ketone - Cyclic ketone - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Acetal - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alcohol - Primary alcohol - Aliphatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone.
External Descriptors 11beta-hydroxy steroid - glucocorticoid - cyclic acetal - 20-oxo steroid - 3-oxo-Delta(1),Delta(4)-steroid - 21-hydroxy steroid
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
NR3C1 Tclin Glucocorticoid receptor (12 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PGR Tclin Progesterone receptor (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
NR3C2 Tclin Mineralocorticoid receptor (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PDE5A Tclin Phosphodiesterase 5A (5113 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
F2 Tclin Thrombin (11687 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA2 Tclin Carbonic anhydrase II (17698 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HMGCR Tclin HMG-CoA reductase (2475 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
INSR Tclin Insulin receptor (5558 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PGR Tclin Progesterone receptor (8562 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR3C2 Tclin Mineralocorticoid receptor (2134 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACE Tclin Angiotensin-converting enzyme (1423 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD2 Tclin Dopamine D2 receptor (23596 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOA Tclin Monoamine oxidase A (11911 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD1 Tclin Dopamine D1 receptor (9720 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD4 Tchem Dopamine D4 receptor (7907 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC6A2 Tclin Norepinephrine transporter (10102 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HRH2 Tclin Histamine H2 receptor (5428 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA1D Tclin Alpha-1d adrenergic receptor (4171 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR1B Tclin Serotonin 1b (5-HT1b) receptor (2801 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AVPR2 Tclin Vasopressin V2 receptor (2912 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA1 Tclin Adenosine A1 receptor (17603 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CALCR Tclin Calcitonin receptor (2215 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC6A4 Tclin Serotonin transporter (12625 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HRH1 Tclin Histamine H1 receptor (7573 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRA1B Tclin Alpha-1b adrenergic receptor (2912 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRM1 Tclin Mu opioid receptor (19785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DRD3 Tclin Dopamine D3 receptor (14368 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRD1 Tclin Delta opioid receptor (15096 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRK1 Tclin Kappa opioid receptor (16155 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR3A Tclin Serotonin 3a (5-HT3a) receptor (3366 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC6A3 Tclin Dopamine transporter (10535 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GRIN1 Tclin Glutamate (NMDA) receptor subunit zeta 1 (122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Agtr2 Angiotensin II type 2 (AT-2) receptor (803 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mc4r Melanocortin receptor 4 (1205 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ltc4s Leukotriene C4 synthase (1 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Sigmar1 Sigma opioid receptor (160 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Npy1r Neuropeptide Y receptor type 1 (8 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cckar Cholecystokinin A receptor (90 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pde4d Phosphodiesterase 4D (4 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nos2 Nitric oxide synthase, inducible (3573 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mmp9 Matrix metalloproteinase 9 (38 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
N2a (708 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAW264.7 (28094 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
H35 (27 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
pfk 6-phospho-1-fructokinase (7870 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Blood (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Il5 Interleukin-5 (441 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Glra2 Glycine receptor (1745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

37 results found

Lot NumberCertificate TypeDateItem
A2614224Certificate of AnalysisDec 27, 2025 B129941
A2614222Certificate of AnalysisDec 27, 2025 B129941
A2614221Certificate of AnalysisDec 27, 2025 B129941
A2614220Certificate of AnalysisDec 27, 2025 B129941
A2614219Certificate of AnalysisDec 27, 2025 B129941
A2404039Certificate of AnalysisOct 13, 2025 B129941
A2404466Certificate of AnalysisOct 13, 2025 B129941
A2404465Certificate of AnalysisOct 13, 2025 B129941
A2404461Certificate of AnalysisOct 13, 2025 B129941
A2404462Certificate of AnalysisOct 13, 2025 B129941
A2404058Certificate of AnalysisOct 13, 2025 B129941
A2404057Certificate of AnalysisOct 13, 2025 B129941
A2404055Certificate of AnalysisOct 13, 2025 B129941
F2512217Certificate of AnalysisMay 08, 2025 B129941
F2512216Certificate of AnalysisMay 08, 2025 B129941
F2512218Certificate of AnalysisMay 08, 2025 B129941
F2512254Certificate of AnalysisMay 08, 2025 B129941
F2512255Certificate of AnalysisMay 08, 2025 B129941
C2321381Certificate of AnalysisJan 17, 2025 B129941
C2321415Certificate of AnalysisJan 09, 2025 B129941
C2321421Certificate of AnalysisJan 09, 2025 B129941
C2321406Certificate of AnalysisJan 09, 2025 B129941
C2321459Certificate of AnalysisJan 09, 2025 B129941
C2321510Certificate of AnalysisJan 09, 2025 B129941
C2321566Certificate of AnalysisJan 09, 2025 B129941
L2413431Certificate of AnalysisDec 05, 2024 B129941
L2413441Certificate of AnalysisDec 05, 2024 B129941
L2413432Certificate of AnalysisDec 05, 2024 B129941
E2516182Certificate of AnalysisJul 22, 2024 B129941
E2516183Certificate of AnalysisJul 22, 2024 B129941
A2404040Certificate of AnalysisDec 27, 2023 B129941
F2427059Certificate of AnalysisDec 27, 2023 B129941
A2404066Certificate of AnalysisDec 27, 2023 B129941
A2404056Certificate of AnalysisDec 27, 2023 B129941
C2321472Certificate of AnalysisJan 11, 2023 B129941
C2321450Certificate of AnalysisJan 11, 2023 B129941
C2321411Certificate of AnalysisJan 11, 2023 B129941

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Chemical and Physical Properties
SolubilitySolvent:DMSO, Max Conc. mg/mL: 43.05, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 21.52, Max Conc. mM: 50
Molecular Weight430.500 g/mol
XLogP32.500
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass430.236 Da
Monoisotopic Mass430.236 Da
Topological Polar Surface Area93.100 Ų
Heavy Atom Count31
Formal Charge0
Complexity862.000
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
References
1. Pengfei Li, Ruiming Yin, Yunfei Bai, Yanhong Ding, Xiaofeng Zeng, Yongquan Li.  (2023)  Enhanced thermal conductivity of Si3N4 ceramics through pyrolytic carbon prepared by gel casting using DMAA.  Journal of Materials Research and Technology-JMR&T,      [PMID:] [10.1016/j.jmrt.2023.05.251]
2. Shuang Yin, Dongliang Mao, Limei Pan, Xia Fang, Yang Wang, Tai Qiu, Jian Yang.  (2021)  Porous SiC–Si3N4 composite ceramics with excellent EMW absorption property prepared by gelcasting using DMAA.  CERAMICS INTERNATIONAL,      [PMID:] [10.1016/j.ceramint.2021.06.119]
3. An Kai, Guan Lianxiong, Kang Huiting, Tian Dating.  (2021)  Zipper-like thermosensitive molecularly imprinted polymers based on konjac glucomannan for metformin hydrochloride.  IRANIAN POLYMER JOURNAL,  30  (4): (331-342).  [PMID:] [10.1007/s13726-020-00892-8]
4. Jing Li, Jindi Huang, Ruiming Yin.  (2019)  Multistage kinetic analysis of DMAA/MBAM polymer removal from gelcast ceramic parts using a multi-stage parallel reaction model and model-free method.  RSC Advances,  (47): (27305-27317).  [PMID:35529202] [10.1039/C9RA04489B]
5. Jing Li, Chuanfu Zhang, Ruiming Yin, Wenhai Zhang.  (2019)  DAEM kinetics analysis and finite element simulation of thermal debinding process for a gelcast SiAlON green body.  CERAMICS INTERNATIONAL,      [PMID:] [10.1016/j.ceramint.2019.01.118]
6. Heng Zhang, Dongxu Yao, Yongfeng Xia, Yu-Ping Zeng.  (2024)  Mechanical and dielectric properties of porous Si3N4 ceramics prepared by modified water-based gel casting.  International Journal of Applied Ceramic Technology,      [PMID:] [10.1111/ijac.14946]
7. Heng Zhang, Dongxu Yao, Ming Zhu, Yongfeng Xia, Jun Zhao, Yu-Ping Zeng.  (2025)  Porous Si3N4 ceramics with uniform microstructure fabricated by in-situ pre-gel casting combined with non-directional freeze-drying.  JOURNAL OF THE EUROPEAN CERAMIC SOCIETY,      [PMID:] [10.1016/j.jeurceramsoc.2025.117369]
8. Xianggang Liu, Hui Chen, Yuxin Zhao, Jingjie Zhang, Xianglong Meng, Guangchun Xiao, Zhaoqiang Chen, Mingdong Yi, Wenyu Liu, Chonghai Xu.  (2025)  Tribology and mechanical performance of Al2O3/CaF2 self-lubricating ceramics prepared by gelcasting.  CERAMICS INTERNATIONAL,      [PMID:] [10.1016/j.ceramint.2025.02.223]
9. Shuo Wang, Yuequan Wang, Yantong Li, Xiaoxue Lai, Miao Hu, Meng Chen, Cong Li, Xinrong Liu, Yanzhi Song, Yihui Deng.  (2025)  An Antigen-Free Nanovaccine-Enabled Holo-Immunotherapy for Establishing Robust Memory Immune Tolerance in Autoimmune Diseases.  ACS Nano,      [PMID:40944643] [10.1021/acsnano.5c09136]
Solution Calculators
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