5'-Methoxy-6'-[3-(1-pyrrolidinyl)propoxy]spiro[cyclobutane-1,3'-[3H]indol]-2'-amine
Completing data — refresh the page later to see the latest
Basic information
- CAS
1527503-11-2- Standard SMILES
COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1- InChIKey
BKCDJTRMYWSXMC-UHFFFAOYSA-N- Molecular formula
- C19H27N3O2
- Average molar mass
- 329.44 g/mol
Names & identifiers
- Preferred name
- 5'-Methoxy-6'-[3-(1-pyrrolidinyl)propoxy]spiro[cyclobutane-1,3'-[3H]indol]-2'-amine
- English name
- 5'-Methoxy-6'-[3-(1-pyrrolidinyl)propoxy]spiro[cyclobutane-1,3'-[3H]indol]-2'-amine
- Molecular formula
- C19H27N3O2
- Molecular weight
- 329.44
Names & synonyms
A-366A-336CS-2077A-366,MV4A-366 (A366)A-366A366A 366A-366, 10 mM in DMSO5'-methoxy-6'-(3-(pyrrolidin-1-yl)propoxy)spiro[cyclobutane-1,3'-indol]-2'-amine5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indole]-2'-amine5'-Methoxy-6'-[3-(1-pyrrolidinyl)propoxy]spiro[cyclobutane-1,3'-[3H]indol]-2'-amine
Database identifiers
- CAS
1527503-11-2- PubChem CID
- 76285486
- ChEMBL
CHEMBL3109630- EC Number
- 808-907-0
- Nikkaji
- J3.729.609K
Properties
Physicochemical properties
- Boiling point
- 533.6 · 533.6±60.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 50 mg/mL · DMSO : 50 mg/mL (151.77 mM; Need ultrasonic)
- form
- powder
- pka
- 10.18 · 10.18±0.20(Predicted)
- color
- white to beige
- InChI
- InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)
- InChIKey
- BKCDJTRMYWSXMC-UHFFFAOYSA-N
- SMILES
- C12(C3=C(N=C1N)C=C(OCCCN1CCCC1)C(OC)=C3)CCC2
- UNSPSC Code
- 12352202 · 12352202
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391
- RIDADR
- 3077 · UN 3077 9 / PGIII
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 · Aquatic Acute 1
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
- 3
- ridadr
- UN 3077 9 / PGIII
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H400
- Hazard Classifications
- Aquatic Acute 1
- Precautionary statements
- P273-P391
Chemistry & industry
Applications
UsesA-366 acts as a potent peptide-competitive inhibitor of the lysine methyltransferase G9a. 1000 fold selectivity over other methyl transferases.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…