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DCLX069

CAT: 0931-T27133-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T27133-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
792946-69-1
Target
Histone Methyltransferase
Related Pathways
Chromatin/Epigenetic
Purity
0.9806
Bioactivity
DCLX069 is a selective protein arginine methyltransferase 1 (PRMT1) inhibitor with an IC50 value of 17.9 μM, occupying the SAM binding pocket to exert its inhibitory effect. It effectively blocks cell proliferation in breast cancer, liver cancer, and acute myeloid leukemia cell lines.
Smiles
CCOC(=O)C1=CC(N)=C(C=C1)N1CCN(CC2=CC=CC=C2)CC1
Molecular Formula
C20H25N3O2
Molecular Weight
339.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ethyl 3-amino-4-(4-benzylpiperazin-1-yl)benzoate
CAS Number792946-69-1
PubChem CID2997002
IUPAC Nameethyl 3-amino-4-(4-benzylpiperazin-1-yl)benzoate
Molecular FormulaC20H25N3O2
Molecular Weight339.4
XLogP2.9
Topological Polar Surface Area58.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity417
SMILES
CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)N
InChI
InChI=1S/C20H25N3O2/c1-2-25-20(24)17-8-9-19(18(21)14-17)23-12-10-22(11-13-23)15-16-6-4-3-5-7-16/h3-9,14H,2,10-13,15,21H2,1H3
InChIKey
RITRCMIWRZBDID-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 3-amino-4-(4-benzylpiperazin-1-yl)benzoate
CAS: 792946-69-1
CID: 2997002
Formula: C20H25N3O2
MW: 339.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass339.19467705
Monoisotopic Mass339.19467705
Topological Polar Surface Area58.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity417
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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BA4841-5DCLX069
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A24372-100DCLX069 100mg
A24372-50DCLX069 50mg
A24372-10DCLX069 10mg

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