Basic information
- CAS
150450-42-3- Standard SMILES
COc1ccc2ncnc(NCc3ccc4c(c3)OCO4)c2c1- InChIKey
GZQGUYVURISNFJ-UHFFFAOYSA-N- Molecular formula
- C17H15N3O3
- Average molar mass
- 309.32 g/mol
- Monoisotopic mass
- 309.11134135
Overview
N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-4-quinazolinamine is a member of quinazolines.
Names & identifiers
- Preferred name
- N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-4-quinazolinamine
- IUPAC
- N-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-amine
- English name
- 4-[[3',4'-(Methylenedioxy)benzyl]amino]-6-methoxyquinazoline
- Molecular formula
- C17H15N3O3
- Molecular weight
- 309.32
Names & synonyms
150450-42-3N-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-amineN-(Benzo[d][1,3]dioxol-5-ylmethyl)-6-methoxyquinazolin-4-amineN-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-4-quinazolinamineCHEMBL66323N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methoxyquinazolin-4-amineSCHEMBL678438SCHEMBL30140903SCHEMBL31066913DTXSID20274327CHEBI:114176BDBM50038982
Show more names
4-[[3',4'-(Methylenedioxy)benzyl]amino]-6-methoxyquinazoline4-Quinazolinamine, N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-4-{[3′,4′-(Methylenedioxy)benzyl]amino}-6-methoxyquinazoline, CAS 150450-42-3
HSCI1_000355ICX5609091BRD-K76263570-001-01-6Q27195180Benzo[1,3]dioxol-5-ylmethyl-(6-methoxy-quinazolin-4-yl)-amine
Database identifiers
- CAS
150450-42-3
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Boiling point
- 504.4 · 504.4±45.0 °C(Predicted)
- Density
- 1.372 · 1.372±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 5 mg/mL · DMSO: 5mg/mL
- pka
- 5.53 · 5.53±0.50(Predicted)
- form
- solid
- color
- white
- UNSPSC Code
- 12352200 · 12352200
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesPotent and specific inhibitor of cGMP-specific phosphodiesterase (PDE V, IC50 = 230 nM). Elevates the intracellular cGMP level without causing a change in the cAMP level in isolated porcine coronary arteries. Has no effect on other PDE isoenzymes.
Suppliers6 total
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
上海人兮科技有限公司021-67759270 17717059219 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
上海依化化学有限公司021-6785342 · [email protected]
Additional notes
DefinitionChEBI: N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-4-quinazolinamine is a member of quinazolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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