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DC-BPi-07

CAT: 0804-HY-178697Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-178697Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DC-BPi-07 is a selective BPTF inhibitor with an IC50 value of 16.0 nM against BPTF-H4. DC-BPi-07 can be used in the research of leukemia[1].
CAS Number
2758411-53-7
UNSPSC
12352005
Target
Epigenetic Reader Domain
Related Pathways
Epigenetics
Field of Research
Cancer
Smiles
O=S(C1=NC(NCCC)=CC(C2=CC=C3C(C=CN3CCCN(C)C)=C2)=N1)(C)=O
Molecular Formula
C21H29N5O2S
Molecular Weight
415.55
References & Citations
[1]Lu T, et al. Discovery of High-Affinity Inhibitors of the BPTF Bromodomain. J Med Chem. 2021 Aug 26;64 (16) :12075-12088.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine
CAS Number2758411-53-7
PubChem CID155903114
IUPAC Name6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propylpyrimidin-4-amine
Molecular FormulaC21H29N5O2S
Molecular Weight415.6
XLogP3.1
Topological Polar Surface Area88.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity609
SMILES
CCCNC1=NC(=NC(=C1)C2=CC3=C(C=C2)N(C=C3)CCCN(C)C)S(=O)(=O)C
InChI
InChI=1S/C21H29N5O2S/c1-5-10-22-20-15-18(23-21(24-20)29(4,27)28)16-7-8-19-17(14-16)9-13-26(19)12-6-11-25(2)3/h7-9,13-15H,5-6,10-12H2,1-4H3,(H,22,23,24)
InChIKey
ZDOGUAMAYSSYLX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine
CAS: 2758411-53-7
CID: 155903114
Formula: C21H29N5O2S
MW: 415.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.6
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass415.20419636
Monoisotopic Mass415.20419636
Topological Polar Surface Area88.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity609
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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