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1527503-11-2

1527503-11-2 Structure

1527503-11-2 Structure
IdentificationBack Directory
[Name]

5'-Methoxy-6'-[3-(1-pyrrolidinyl)propoxy]spiro[cyclobutane-1,3'-[3H]indol]-2'-amine
[CAS]

1527503-11-2
[Synonyms]

A-366
A-336
CS-2077
A-366; A366;A 366
5'-methoxy-6'-(3-(pyrrolidin-1-yl)propoxy)spiro[cyclobutane-1,3'-indol]-2'-amine
5'-Methoxy-6'-[3-(1-pyrrolidinyl)propoxy]spiro[cyclobutane-1,3'-[3H]indol]-2'-amine
Spiro[cyclobutane-1,3'-[3H]indol]-2'-amine, 5'-methoxy-6'-[3-(1-pyrrolidinyl)propoxy]-
[EINECS(EC#)]

808-907-0
[Molecular Formula]

C19H27N3O2
[MDL Number]

MFCD28133403
[MOL File]

1527503-11-2.mol
[Molecular Weight]

329.44
Chemical PropertiesBack Directory
[Boiling point ]

533.6±60.0 °C(Predicted)
[density ]

1.29±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO : 50 mg/mL (151.77 mM; Need ultrasonic)
[form ]

powder
[pka]

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
Safety DataBack Directory
[Symbol(GHS) ]

Environment (GHS09)
GHS09
[Signal word ]

Warning
[Hazard statements ]

H400
[Precautionary statements ]

P273-P391
[RIDADR ]

UN 3077 9 / PGIII
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Acute 1
Hazard InformationBack Directory
[Uses]

A-366 acts as a potent peptide-competitive inhibitor of the lysine methyltransferase G9a. 1000 fold selectivity over other methyl transferases.
[Biochem/physiol Actions]

A-366 is an SGC chemical probe for G9a/GLP, developed in collaboration with Abbvie. A-366 is a potent, selective inhibitor of the histone methyltransferase G9a. The IC50 values for G9a inhbition in enzymatic and cell based assays are 3.3 and approximately 3 μM, respectively. A-366 has little or no detectable activity against a panel of 21 other methyltransferases. For full characterization details, please visit the A-366 probe summary on the Structural Genomics Consortium (SGC) website.To learn about other SGC chemical probes for epigenetic targets, visit sigma.com/sgc
[in vivo]

A-366 (30 mg/kg; osmotic mini-pump; daily for 14 days) treatment of MV4;11 xenografts elicits growth inhibition[4].

Animal Model:6-8 week old SCID-beige female mice (MV4;11 xenografts)[4]
Dosage:30 mg/kg
Administration:By osmotic mini-pump; daily for 14 days
Result:A modest 45% tumor growth inhibition resulting from A-366 treatment in this model.
[IC 50]

EHMT2/G9a/KMT1C; EHMT1/GLP/KMT1D
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

5'-Methoxy-6'-[3-(1-pyrrolidinyl)propoxy]spiro[cyclobutane-1,3'-[3H]indol]-2'-amine(1527503-11-2)1HNMR
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