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Lu-135252 - Moligand™, ≥98% , Endothelin receptor ET-B antagonist, CAS No.171714-84-4, Endothelin receptor ET-B antagonist

CAS: 171714-84-4 Cat. No.: L412123 分子式: C22H22N2O6 分子量: 410.43
COA
Lu-135252 - Moligand™, ≥98% CAS No(171714-84-4) by Aladdin Scientific
注文可能
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
LU135252 | LU-135252 | Darusentan [INN] | GTPL3508 | BCP13024 | WGA71484 | Benzenepropanoic acid, alpha-((4,6-dimethoxy-2-pyrimidinyl)oxy)-beta-methoxy-beta-phenyl-, (S)- | BDBM50108202 | Darusentan | 3-(8,8-diethyl-3-aza-8-germaspiro[4.5]decan-3-yl)-N,N-
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
ドイツ (EU)*
Price
Qty
1mg
L412123-1mg
3 在庫あり
—

$10.90

$16.90
保存 $6.00 (35.50%)
5mg
L412123-5mg
3 在庫あり
—

$15.90

$23.90
保存 $8.00 (33.47%)
10mg
L412123-10mg
2 在庫あり
—

$19.90

$29.90
保存 $10.00 (33.44%)
25mg
L412123-25mg
2 在庫あり
—

$43.90

$65.90
保存 $22.00 (33.38%)
50mg
L412123-50mg
1 在庫あり
—

$48.90

$73.90
保存 $25.00 (33.83%)
100mg
L412123-100mg
1 在庫あり
—

$88.90

$133.90
保存 $45.00 (33.61%)
Enter a quantity for the sizes you want to add.
Bulk / Custom
♡ ウィッシュリスト ⇅ 比較リストに入れる ⎙ Print page
SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
概要 Specifications 製品の性質 名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造 関連ターゲット（人間） 関連ターゲット（非人間） 作用メカニズム 証明書（CoA、COO、BSE/TSEと分析図） 化学的性質と物理的性質 ソリューション計算機 レビュー
🧪
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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

Information

Lu-135252 (Darusentan, HMR-4005) is a selective endothelin A (ETA) receptor antagonist. Darusentan competes for radiolabeled endothelin binding in rat aortic vascular smooth muscle cells (RAVSMs) membranes with single-site kinetics with Ki of 13 nM.

Specifications

同義語
LU135252 | LU-135252 | Darusentan [INN] | GTPL3508 | BCP13024 | WGA71484 | Benzenepropanoic acid, alpha-((4,6-dimethoxy-2-pyrimidinyl)oxy)-beta-methoxy-beta-phenyl-, (S)- | BDBM50108202 | Darusentan | 3-(8,8-diethyl-3-aza-8-germaspiro[4.5]decan-3-yl)-N,N-
仕様と純度
Moligand™, ≥98%
生化学的・生理学的メカニズム
Lu-135252 (Darusentan, HMR-4005) is a selective endothelin A (ETA) receptor antagonist. Darusentan competes for radiolabeled endothelin binding in rat aortic vascular smooth muscle cells (RAVSMs) membranes with single-site kinetics with Ki of 13 nM.
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。
等級
Moligand™
アクションタイプ
ANTAGONIST
作用メカニズム
Endothelin receptor ET-B antagonist
純度
≥98%
製品の性質
ALogP
3.6
名前と識別子
パブケム・シド
528765401
パブケム・シド・ウル
https://pubchem.ncbi.nlm.nih.gov/substance/528765401
カノニカル・スマイル
COC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)OC
IUPAC Name
(2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoic acid
InChIKey
FEJVSJIALLTFRP-LJQANCHMSA-N
INCHI
1S/C22H22N2O6/c1-27-17-14-18(28-2)24-21(23-17)30-19(20(25)26)22(29-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1
異性体SMILES
COC1=CC(=NC(=N1)O[C@H](C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)OC
分子量
410.43
Reaxy-Rn
7552206
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7552206&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
SuperclassBenzenoids
分類Benzene and substituted derivatives
SubclassDiphenylmethanes
Intermediate Tree Nodes Not available
Direct ParentDiphenylmethanes
Alternative Parents Phenylpropanoic acids  Benzylethers  Alkyl aryl ethers  Pyrimidines and pyrimidine derivatives  Monosaccharides  Heteroaromatic compounds  Monocarboxylic acids and derivatives  Dialkyl ethers  Carboxylic acids  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Diphenylmethane - 3-phenylpropanoic-acid - Benzylether - Alkyl aryl ether - Monosaccharide - Pyrimidine - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
説明This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
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）
EDNRA Tclin Endothelin-1 receptor (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
EDNRB Tclin Endothelin receptor type B (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
EDNRB Tclin Endothelin receptor ET-B (1928 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EDNRA Tclin Endothelin receptor ET-A (5008 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EDNRB Tclin Endothelin receptor, ET-A/ET-B (286 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
関連ターゲット（非人間）
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ednra Endothelin receptor (172 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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:

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

12 results found

Lot NumberCertificate Type日付商品
B2418413Certificate of AnalysisJan 04, 2024 L412123
B2418414Certificate of AnalysisJan 04, 2024 L412123
B2418415Certificate of AnalysisJan 04, 2024 L412123
B2418416Certificate of AnalysisJan 04, 2024 L412123
B2418417Certificate of AnalysisJan 04, 2024 L412123
B2418418Certificate of AnalysisJan 04, 2024 L412123
B2418419Certificate of AnalysisJan 04, 2024 L412123
B2418420Certificate of AnalysisJan 04, 2024 L412123
B2418421Certificate of AnalysisJan 04, 2024 L412123
B2418422Certificate of AnalysisJan 04, 2024 L412123
B2418424Certificate of AnalysisJan 04, 2024 L412123
B2418425Certificate of AnalysisJan 04, 2024 L412123
化学的性質と物理的性質
分子量410.400 g/mol
XLogP33.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass410.148 Da
Monoisotopic Mass410.148 Da
Topological Polar Surface Area100.000 Ų
Heavy Atom Count30
Formal Charge0
Complexity506.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
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
レビュー

顧客レビュー

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View related series

Class A GPCR (8087) Endothelin Receptor (34) ETA receptor Antagonist (20) GPCR/G Protein (3188)
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