Andolast free base - ≥98% , Calcium-activated potassium channel subunit alpha-1 activator, CAS No.132640-22-3, Calcium-activated potassium channel subunit alpha-1 activator

CAS: 132640-22-3 Cat. No.: A649234 분자식: C₁₅H₁₁N₉O 분자량: 333.31 PubChem CID: 65970

GRADE & PURITY ≥98%

Synonyms

Andolast | SCHEMBL166170 | 6513M33209 | HY-106358 | Cr2039 | CR 2039 | UNII-6513M33209 | Benzamide, 4-(2H-tetrazol-5-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]- | Andolast [INN] | DTXSID80157682 | 4-(2H-tetrazol-5-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide | Q27

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Andolast (CR 2039) (free base) is an anti-allergic agent. Andolast can inhibit cAMP-phosphodiesterase with an IC 50 value of 50 μM. Andolast can be used for the research of asthma.

In Vivo

Andolast (CR 2039) (i.v. or i.m.) inhibits rat passive cutaneous anaphylaxis (PCA) with an ED 50 of 0.1 mg/kg . CR 2039 (10-100 mg/kg; i.v. or i.m.) inhibits the microvascular permeability changes in a model of allergic conjunctivitis in sensitized guinea-pigs . CR 2039 (0-1000 μM; i.v.) inhibits dose dependently guinea-pig lung cAMP-phosphodiesterase with an IC 50 value of 50 μM . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male Hartley guinea-pigs (300-500 g) Dosage: 10-100 mg/kg Administration: I.M; I.V. Result: Showed dose-related significant protection against lgE-dependent bronchial anaphylaxis induced by aerosolized antigen in anesthetized guinea-pigs. Delayed dose dependently the onset of bronchoconstriction induced by aerosolized antigen.

Form:Solid

Specifications

동의어

Andolast | SCHEMBL166170 | 6513M33209 | HY-106358 | Cr2039 | CR 2039 | UNII-6513M33209 | Benzamide, 4-(2H-tetrazol-5-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]- | Andolast [INN] | DTXSID80157682 | 4-(2H-tetrazol-5-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide | Q27

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

Andolast (CR 2039) (free base) is an anti-allergic agent. Andolast can inhibit cAMP-phosphodiesterase with an IC 50 value of 50 μM. Andolast can be used for the research of asthma.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

ACTIVATOR

작동 메커니즘

Calcium-activated potassium channel subunit alpha-1 activator

순수함

≥98%

제품 특성

ALogP

1.2

이름과 식별자

정식 스마일

C1=CC(=CC=C1C2=NNN=N2)C(=O)NC3=CC=C(C=C3)C4=NNN=N4

IUPAC Name

4-(2H-tetrazol-5-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide

InChIKey

VXEBMQZDPONDFB-UHFFFAOYSA-N

INCHI

1S/C15H11N9O/c25-15(11-3-1-9(2-4-11)13-17-21-22-18-13)16-12-7-5-10(6-8-12)14-19-23-24-20-14/h1-8H,(H,16,25)(H,17,18,21,22)(H,19,20,23,24)

이성체 SMILES

C1=CC(=CC=C1C2=NNN=N2)C(=O)NC3=CC=C(C=C3)C4=NNN=N4

PubChem CID

65970

분자량

333.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Phenyltetrazoles and derivatives Benzamides Benzoyl derivatives Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzanilide - Phenyltetrazole - Benzamide - Benzoic acid or derivatives - Benzoyl - Azole - Heteroaromatic compound - Tetrazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO : 50 mg/mL (150.01 mM; ultrasonic and warming and heat to 60°C)
• 분자량: 333.310 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 333.109 Da
• Monoisotopic Mass: 333.109 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 448.000
• 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