Carazolol - ≥98% , CAS No.57775-29-8

CAS: 57775-29-8 Cat. No.: C141489 Fórmula: C₁₈H₂₂N₂O₂ Peso molecular: 298.38 Beilstein Registry Number: 3620576 Número CE: 260-945-1

GRADE & PURITY ≥98%

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 2-8°C,Argon charged

Shipped In

Wet ice

Visão geral

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

Sinónimos

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

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 508812643
• Sorrisos canónicos: 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
• SMILES isoméricas: CC(C)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O
• WGK Alemanha: 2
• RTECS: UA8685000
• Peso molecular: 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
    • Classe Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

ADRB2 Tclin Beta-2 adrenergic receptor (2 Activities)

Discover Target: ADRB2

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

ADRB3 Tclin Beta-3 adrenergic receptor (0 Activities)

Discover Target: ADRB3

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

ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

Discover Target: ADRB2

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

ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

Discover Target: ADRB1

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

A-375 (9258 Activities)

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

SK-MEL-28 (48833 Activities)

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

SK-MEL-5 (47095 Activities)

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

ADRB1 Tclin Adrenergic receptor beta (1214 Activities)

Discover Target: ADRB1

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

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Staphylococcus aureus (210822 Activities)

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 133-137°C
• Peso molecular: 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

Referências

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]