Carazolol - 10mM in DMSO , CAS No.57775-29-8

CAS: 57775-29-8 Cat. No.: C424857 Summenformel: C₁₈H₂₂N₂O₂ Molekulargewicht: 298.38 Beilstein Registry Number: 3620576 EG-Nummer: 260-945-1

GRADE & PURITY 10mM in DMSO

Synonyms

GTPL569 | UNII-29PW75S82A | 29PW75S82A | CHEBI:135261 | SCHEMBL77902 | (isopropylamino)propan-2-ol | BDBM50027663 | NITRONAPHTHALENE | Carazolol [INN:BAN] | CARAZOLOL [MART.] | 8-quinolyl benzoate | BRN 3620576 | D07608 | alpha-Naphthonitrile | 1-(9H-Carb

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Commission Regulation (EU) No 37/2010 of 22 December 2009 on pharmacologically active substances and their classification regarding maximum residue limits in foodstuffs of animal origin

Specifications

Synonyme

GTPL569 | UNII-29PW75S82A | 29PW75S82A | CHEBI:135261 | SCHEMBL77902 | (isopropylamino)propan-2-ol | BDBM50027663 | NITRONAPHTHALENE | Carazolol [INN:BAN] | CARAZOLOL [MART.] | 8-quinolyl benzoate | BRN 3620576 | D07608 | alpha-Naphthonitrile | 1-(9H-Carb

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

• Pubchem Sid: 504754637
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754637
• Kanonisches Lächeln: CC(C)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O
• IUPAC Name: 1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
• InChIKey: BQXQGZPYHWWCEB-UHFFFAOYSA-N
• INCHI: 1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3
• Isomere SMILES: CC(C)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O
• WGK Deutschland: 2
• RTECS: UA8685000
• Molekulargewicht: 298.38
• Beilstein: 3620576
• Reaxy-Rn: 3620576
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3620576&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: Indoles Alkyl aryl ethers Benzenoids Pyrroles Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - Indole - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Pyrrole - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Ether - Azacycle - Secondary amine - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
• 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

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ADRB2 Tclin Beta-2 adrenergic receptor (2 Activities)

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ADRB3 Tclin Beta-3 adrenergic receptor (0 Activities)

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

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A-375 (9258 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL-5 (47095 Activities)

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ADRB1 Tclin Adrenergic receptor beta (1214 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Staphylococcus aureus (210822 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 133-137°C
• Molekulargewicht: 298.400 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 298.168 Da
• Monoisotopic Mass: 298.168 Da
• Topological Polar Surface Area: 57.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 350.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referenzen

1. Weisi Wang, Jun Li, Wenjing Qi, Ying Chen, Mengxiao Tian, Chuanchuan Wu, Yao Zhang, Yingfang Yu, Shuai Han, Xiumin Han, Liping Duan, Wenbao Zhang.  (2024)  Drug repurposing for hard-to-treat human alveolar echinococcosis: pyronaridine and beyond.  PARASITOLOGY,      [PMID:39508157] [10.1017/S0031182024001124]