Resorcinolnaphthalein - ≥99% , CAS No.41307-63-5

CAS: 41307-63-5 Cat. No.: R649699 分子式: C₂₄H₁₄O₅ 分子量: 382.36 PubChem CID: 337218

グレード＆純度 ≥99%

Synonyms

HY-122445 | 3',6'-Dihydroxyspiro[1H,3H-naphtho[1,8-cd]pyran-1,9'-[9H]xanthen-3-one | MFCD02251771 | SCHEMBL2879706 | 3',6'-dihydroxyspiro[3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-4,9'-xanthene]-2-one | FTUOFHGOGJGQAB-UHFFFAOYSA-N | Re

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Resorcinolnaphthalein is a specific angiotensin-converting enzyme 2 (ACE2) enhancer and activates ACE2 activity with an EC 50 value of 19.5 μM. Resorcinolnaphthalein can be used for the investigation of hypertension and renal fibrosis

In Vitro

Resorcinolnaphthalein (100 μM) and XNT enhances ACE2 activity in a dose-dependent manner with EC 50 values of 19.5 μM and 20.1 μM, respectively. ACE2 is an effective enzyme in attenuating fibrosis and structural remodeling. Enhancement of ACE2 activity has beneficial effects on the cardiovascular system and protects against hypertension induced pathophysiology. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:EC50: 19.5 μM (ACE2)

仕様

同義語

HY-122445 | 3',6'-Dihydroxyspiro[1H,3H-naphtho[1,8-cd]pyran-1,9'-[9H]xanthen-3-one | MFCD02251771 | SCHEMBL2879706 | 3',6'-dihydroxyspiro[3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-4,9'-xanthene]-2-one | FTUOFHGOGJGQAB-UHFFFAOYSA-N | Re

仕様と純度

≥99%

生化学的・生理学的メカニズム

Resorcinolnaphthalein is a specific angiotensin-converting enzyme 2 (ACE2) enhancer and activates ACE2 activity with an EC 50 value of 19.5 μM. Resorcinolnaphthalein can be used for the investigation of hypertension and renal fibrosis.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

ACTIVATOR

純度

≥99%

名前と識別子

カノニカル・スマイル

C1=CC2=C3C(=C1)C(=O)OC4(C3=CC=C2)C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O

IUPAC Name

3',6'-dihydroxyspiro[3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-4,9'-xanthene]-2-one

InChIKey

FTUOFHGOGJGQAB-UHFFFAOYSA-N

INCHI

1S/C24H14O5/c25-14-7-9-17-20(11-14)28-21-12-15(26)8-10-18(21)24(17)19-6-2-4-13-3-1-5-16(22(13)19)23(27)29-24/h1-12,25-26H

異性体SMILES

C1=CC2=C3C(=C1)C(=O)OC4(C3=CC=C2)C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O

代替CAS番号

41307-63-5

PubChem CID

337218

NSC番号

354317

MeSH用語

3',6'-dihydroxy-spiro(1H,3H-naphtho(1,8-cd)pyran-1,9'-(9H)xanthen)-3-one;resorcinolnaphthalein

分子量

382.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: Diarylethers Naphthalenes 2-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Diaryl ether - Naphthalene - 2-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran 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

化学的性質と物理的性質

• 溶解度: DMSO : 125 mg/mL (326.92 mM; Need ultrasonic)
• 分子量: 382.400 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 382.084 Da
• Monoisotopic Mass: 382.084 Da
• Topological Polar Surface Area: 76.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 638.000
• 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