Resorcinolnaphthalein
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Basic information
- CAS
41307-63-5- Standard SMILES
O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2cccc3cccc1c23- InChIKey
FTUOFHGOGJGQAB-UHFFFAOYSA-N- Molecular formula
- C24H14O5
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.08412355
Overview
an angiotensin-converting enzyme 2 (ACE2) activator
Names & identifiers
- Preferred name
- Resorcinolnaphthalein
- IUPAC
- 3',6'-dihydroxyspiro[3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-4,9'-xanthene]-2-one
- English name
- Resorcinolnaphthalein
- Molecular formula
- C24H14O5
- Molecular weight
- 382.36
Names & synonyms
ResorcinolnaphthaleinRefChem:1789423',6'-dihydroxy-spiro(1H,3H-naphtho(1,8-cd)pyran-1,9'-(9H)xanthen)-3-one41307-63-5NSC-354317MFCD022517713',6'-dihydroxyspiro[3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-4,9'-xanthene]-2-oneC24H14O5NSC354317NSC 354317orb1219749orb1308767
Show more names
Resorcinolnaphthalein, 10 mM in DMSOSpiro[1H,3H-naphtho[1,8-cd]pyran-1,9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-fibrosis,ACE2,hypertension,renal,perivascular,Resorcinolnaphthalein,reversal,inhibit,myocardial,Inhibitor,Angiotensin-converting Enzyme (ACE)
SCHEMBL2879706DTXSID90320062FTUOFHGOGJGQAB-UHFFFAOYSA-NGLXC-23441RBA30763EX-A15079AKOS003618253DA-77410
Database identifiers
- CAS
41307-63-5
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 638
Physicochemical properties
- Melting point
- 290 °C · >290 °C
- Boiling point
- 688.4 · 688.4±55.0 °C(Predicted)
- Density
- 1.59 · 1.59±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 20 mg/ml · ≤20mg/ml in ethanol;20mg/ml in DMSO;20mg/ml in dimethyl formamide
- form
- crystalline solid
- pka
- 9.13 · 9.13±0.20(Predicted)
- color
- Light yellow to orange
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds or factors that act on a specific enzyme to increase its activity.
Applications
UsesAngiotensin-converting enzyme 2 (ACE2) is an enzyme that is cardioprotective and renoprotective. Resorcinolnaphthalein increases the activity of ACE2 in vitro (EC50 = 19.5 μM). Activation of ACE2 in rats produces a decrease in blood pressure and improvement in cardiac function. In spontaneously hypertensive rats it produces a reversal of myocardial, perivascular, and renal fibrosis.[Cayman Chemical]
Related reactions
0 records
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Compound notes
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