dabuzalgron - Moligand™, ≥98% , Alpha-1a adrenergic receptor partial agonist, CAS No.219311-44-1, Alpha-1a adrenergic receptor partial agonist

CAS: 219311-44-1 Cat. No.: D609714 분자식: C₁₂H₁₆ClN₃O₃S 분자량: 317.79 PubChem CID: 216249

등급 & 순도 Moligand™, ≥98%

Synonyms

N-(6-Chloro-3-((4,5-dihydro-1H-imidazol-2-yl)methoxy)-2-methylphenyl)methanesulfonamide|Dabuzalgron|Dabuzalgron [INN]|METHANESULFONAMIDE, N-(6-CHLORO-3-((4,5-DIHYDRO-1H-IMIDAZOL-2-YL)METHOXY)-2-METHYLPHENYL)-|n-[6-chloro-3-(4,5-dihydro-1h-imidazol-2-ylmethoxy)-2-methylphenyl]methanesulfonamide|R 450|N-(6-CHLORO-3-(4,5-DIHYDRO-1H-IMIDAZOL-2-YLMETHOXY)-2-METHYLPHENYL)METHANESULFONAMIDE|Ro 115-1240|dabuzalgronum|N-{6-chloro-3-[(4,5-dihydro-1H-imidazol-2-yl)methoxy]-2-methylphenyl}methanesulfonamide|Ro-115-1240

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Dabuzalgron (Ro 115-1240) is a selective α-1A adrenergic receptor agonist for the treatment of urinary incontinence. Dabuzalgron protects against Doxorubicin-induced cardiotoxicity by preserving mitochondrial function.

사양

동의어

N-(6-Chloro-3-((4,5-dihydro-1H-imidazol-2-yl)methoxy)-2-methylphenyl)methanesulfonamide | Dabuzalgron | Dabuzalgron [INN] | METHANESULFONAMIDE, N-(6-CHLORO-3-((4,5-DIHYDRO-1H-IMIDAZOL-2-YL)METHOXY)-2-METHYLPHENYL)- | n-[6-chloro-3-(4,5-dihydro-1h-imidazol-2-ylmethoxy)-2-methylphenyl]methanesulfonamide | R 450 | N-(6-CHLORO-3-(4,5-DIHYDRO- Show more

사양 및 순도

Moligand™, ≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

AGONIST, PARTIAL AGONIST

작동 메커니즘

Alpha-1a adrenergic receptor partial agonist

순수함

≥98%

제품 특성

ALogP

0.9

이름과 식별자

정식 스마일

Clc1ccc(c(c1NS(=O)(=O)C)C)OCC1=NCCN1

IUPAC Name

N-[6-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-methylphenyl]methanesulfonamide

InChIKey

FOYWMEJSRSBQGB-UHFFFAOYSA-N

INCHI

1S/C12H16ClN3O3S/c1-8-10(19-7-11-14-5-6-15-11)4-3-9(13)12(8)16-20(2,17)18/h3-4,16H,5-7H2,1-2H3,(H,14,15)

이성체 SMILES

CC1=C(C=CC(=C1NS(=O)(=O)C)Cl)OCC2=NCCN2

PubChem CID

216249

분자량

317.79

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Sulfanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Sulfanilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfanilides
• Alternative Parents: Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Chlorobenzenes Organosulfonamides Aryl chlorides Organic sulfonamides Imidolactams Aminosulfonyl compounds Imidazolines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxamidines Carboximidamides Organochlorides Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Sulfanilide - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Organic sulfonic acid amide - Organosulfonic acid amide - Imidolactam - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - 2-imidazoline - Azacycle - Organoheterocyclic compound - Amidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid amidine - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organopnictogen compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

ADRA1A Tclin Alpha-1A adrenergic receptor (2 Activities)

Discover Target: ADRA1A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

Discover Target: ADRA2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADRA1D Tclin Alpha-1d adrenergic receptor (4171 Activities)

Discover Target: ADRA1D

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

Discover Target: ADRA1A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 분자량: 317.790 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 317.06 Da
• Monoisotopic Mass: 317.06 Da
• Topological Polar Surface Area: 88.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 463.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 219311-44-1, the molecular formula is C12H16ClN3O3S, and the molecular weight is 317.79 g/mol. InChIKey FOYWMEJSRSBQGB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.