BRL 37344 - Moligand™ , Agonist of β 3-adrenoceptor, CAS No.116049-78-6, Agonist of β 3-adrenoceptor

CAS: 116049-78-6 Cat. No.: B608221 PubChem CID: 9841972
주문 가능
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.
Synonyms
(BRL 37,344)(4-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-phenoxy)-acetic acid | 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-[[2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro- [CAS] | BRL37344 | Brl-37344 | (R*, R*) (4-{2-[2-(3-Chl
Storage
Room temperature
★
Size
USA
독일 (EU)*
Price
Qty
5mg
B608221-5mg
주문제작 · 8~12주
US$900.90
25mg
B608221-25mg
주문제작 · 8~12주

US$1,714.90

US$2,800.90
저장 US$1,086.00 (38.77%)
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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.

Specifications

동의어
(BRL 37,344)(4-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-phenoxy)-acetic acid | 6H-Pyrido[2,3-b][1,4]benzodiazepin-6-one, 11-[[2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-5,11-dihydro- [CAS] | BRL37344 | Brl-37344 | (R*, R*) (4-{2-[2-(3-Chl
사양 및 순도
Moligand™
보관 조건
Room temperature
등급
Moligand™
작업 유형
AGONIST
작동 메커니즘
Agonist of β 3-adrenoceptor
이름과 식별자
정식 스마일C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O
IUPAC Name2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetic acid
InChIKeyZGGNJJJYUVRADP-ACJLOTCBSA-N
INCHI1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1
이성체 SMILES C[C@H](CC1=CC=C(C=C1)OCC(=O)O)NC[C@@H](C2=CC(=CC=C2)Cl)O
PubChem CID 9841972

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
분류Benzene and substituted derivatives
SubclassPhenoxyacetic acid derivatives
Intermediate Tree Nodes Not available
Direct ParentPhenoxyacetic acid derivatives
Alternative Parents Amphetamines and derivatives  Phenylpropanes  Phenoxy compounds  Phenol ethers  Alkyl aryl ethers  Chlorobenzenes  Aralkylamines  Aryl chlorides  Secondary alcohols  1,2-aminoalcohols  Amino acids  Monocarboxylic acids and derivatives  Dialkylamines  Carboxylic acids  Aromatic alcohols  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Organochlorides  Organopnictogen compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenoxyacetate - Amphetamine or derivatives - Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,2-aminoalcohol - Amino acid or derivatives - Amino acid - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Secondary amine - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Amine - Organic oxygen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Aromatic alcohol - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic homomonocyclic compound
설명This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
ADRB3 Tclin Beta-3 adrenergic receptor (9 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRB3 Tclin Beta-3 adrenergic receptor (5850 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRB1 Tclin Adrenergic receptor beta; ADRB1 & ADRB3 (200 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRB2 Tclin Beta-2 adrenergic receptor and beta-3 adrenergic receptor (173 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Adra1b Adrenergic receptor alpha-1 (5652 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
분자량363.800 g/mol
XLogP30.900
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass363.124 Da
Monoisotopic Mass363.124 Da
Topological Polar Surface Area78.800 Ų
Heavy Atom Count25
Formal Charge0
Complexity401.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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리뷰

고객 리뷰

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