Ebopiprant - ≥98% , CAS No.2005486-31-5

CAS: 2005486-31-5 Cat. No.: E647754 分子式: C30H34FN3O5S2 分子量: 599.74 PubChem CID: 122522051
注文可能
GRADE & PURITY ≥98%
Synonyms
Z1AVZ44TEJ | L-Valine, (3S)-3-((((2S)-3-((1,1'-biphenyl)-4-ylsulfonyl)-2-thiazolidinyl)carbonyl)amino)-3-(4-fluorophenyl)propyl ester | OBE022 | OBE-022 | EBOPIPRANT [WHO-DD] | UNII-Z1AVZ44TEJ | SCHEMBL18055682 | Ebopiprant | [(3S)-3-(4-fluorophenyl)-3-[[
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
Size
USA
ドイツ (EU)*
Price
Qty
5mg
E647754-5mg
受注生産 · 8~12週間
$960.90
10mg
E647754-10mg
受注生産 · 8~12週間
$1,600.90
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Why this grade

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

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Storage & shipping

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

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Quality documents

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

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

Ebopiprant (OBE022) is an oral and selective prostaglandin F 2α ( PGF 2α ) receptor antagonist, with K i s of 1 nM, 26 nM for human and rat FP receptors, respectively.

In Vitro

Ebopiprant (OBE022) and OBE002 are assayed for FP binding affinity by competitive binding analysis with 3H-PGF2α using HEK293 cells stably transfected with the FP receptor. Binding affinities (K i ) of OBE022 for the human and rat FP receptor are 1 nM and 26 nM respectively. For OBE002, K i s are 6 nM for the human and 313 nM for the rat FP receptor. The binding of both OBE022 and OBE002 is reversible and competitive since increasing concentrations of either compound causes successive decreases in the slope of the binding curves, consistent with an increase in equilibrium dissociation constant (K D ) without a reduction in receptor density. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Time-course of the cumulative percentage of delivers mice after RU486-induced preterm parturition at GD17, in OBE022, nifedipine or vehicle treatment groups. Oral treatment with OBE022 delays the preterm birth caused by RU486 administration as reflected by a shift to the right of the percentage of delivery curve. The effect of oral treatment with nifedipine is comparable. Both OBE022 and nifedipine show a trend to increase the time of first pup delivery. As an important consequence of the prolongation of gestation, dams deliver viable pups. Combination of OBE022 and nifedipine cause a synergistic effect on the delay of RU486-induced preterm birth as reflected by a more pronounced shift to the right of the percentage of delivery curve, in comparison to OBE022 or nifedipine alone. Also, a larger increase of the time of first pup delivery is observed . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Human FP Receptor 1 nM (Ki) Rat FP Receptor 26 nM (Ki)

Specifications

同義語
Z1AVZ44TEJ | L-Valine, (3S)-3-((((2S)-3-((1,1'-biphenyl)-4-ylsulfonyl)-2-thiazolidinyl)carbonyl)amino)-3-(4-fluorophenyl)propyl ester | OBE022 | OBE-022 | EBOPIPRANT [WHO-DD] | UNII-Z1AVZ44TEJ | SCHEMBL18055682 | Ebopiprant | [(3S)-3-(4-fluorophenyl)-3-[[
仕様と純度
≥98%
生化学的・生理学的メカニズム
Ebopiprant (OBE022) is an oral and selective prostaglandin F 2α ( PGF 2α ) receptor antagonist, with K i s of 1 nM, 26 nM for human and rat FP receptors, respectively.
保管条件
Store at -20°C
入荷
Ice chest + Ice pads
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
アクションタイプ
ANTAGONIST
純度
≥98%
名前と識別子
カノニカル・スマイルCC(C)C(C(=O)OCCC(C1=CC=C(C=C1)F)NC(=O)C2N(CCS2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)N
IUPAC Name[(3S)-3-(4-fluorophenyl)-3-[[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carbonyl]amino]propyl] (2S)-2-amino-3-methylbutanoate
InChIKeyUUIBKACUTXYSAK-YCVJPRETSA-N
INCHI1S/C30H34FN3O5S2/c1-20(2)27(32)30(36)39-18-16-26(23-8-12-24(31)13-9-23)33-28(35)29-34(17-19-40-29)41(37,38)25-14-10-22(11-15-25)21-6-4-3-5-7-21/h3-15,20,26-27,29H,16-19,32H2,1-2H3,(H,33,35)/t26-,27-,29-/m0/s1
異性体SMILES CC(C)[C@@H](C(=O)OCC[C@@H](C1=CC=C(C=C1)F)NC(=O)[C@H]2N(CCS2)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)N
代替CAS番号 2005486-31-5
PubChem CID 122522051
MeSH用語 (S)-2-amino-3-methyl-butyric acid (S)-3-(((S)-3-(biphenyl-4-sulfonyl)-thiazolidine-2-carbonyl)-amino)-3-(4-fluoro-phenyl)-propyl ester;obe022
分子量 599.74

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.

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📊 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
SuperclassOrganic acids and derivatives
分類Carboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives
Direct ParentAlpha amino acid esters
Alternative Parents Valine and derivatives  Biphenyls and derivatives  Benzenesulfonamides  Benzenesulfonyl compounds  Fluorobenzenes  Fatty acid esters  Organosulfonamides  Aryl fluorides  Thiazolidines  Sulfonyls  Secondary carboxylic acid amides  Carboxylic acid esters  Monocarboxylic acids and derivatives  Dialkylthioethers  Azacyclic compounds  Organopnictogen compounds  Organofluorides  Organic oxides  Monoalkylamines  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Valine or derivatives - Alpha-amino acid ester - Biphenyl - Benzenesulfonamide - Benzenesulfonyl group - Halobenzene - Fluorobenzene - Fatty acid ester - Fatty acyl - Benzenoid - Organosulfonic acid amide - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Thiazolidine - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Dialkylthioether - Thioether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aromatic heteromonocyclic compound
説明This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





関連ターゲット(人間)
PTGFR Tclin Prostaglandin F2-alpha receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
溶解度DMSO : 250 mg/mL (416.85 mM; Need ultrasonic)
分子量599.700 g/mol
XLogP34.900
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass599.192 Da
Monoisotopic Mass599.192 Da
Topological Polar Surface Area152.000 Ų
Heavy Atom Count41
Formal Charge0
Complexity956.000
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
ソリューション計算機
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