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FT001

CAT: 0804-HY-116588-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-116588-03Size:10 mg
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Description
FT001 is an orally active and selective BET inhibitor. FT001 has potent anti-proliferative effects against MV-4-11. FT001 can be used for research of cancer[1].
CAS Number
1778655-51-8
UNSPSC
12352005
Target
Epigenetic Reader Domain
Type
Reference compound
Related Pathways
Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ft001.html
Purity
99.90
Solubility
10 mM in DMSO
Smiles
O=C(C1CC1)N2C3=CC(C4=CC=C(N5CCS(=O)(CC5)=O)C=C4)=CC=C3N([C@H](C2)C)C(C)=O
Molecular Formula
C25H29N3O4S
Molecular Weight
467.58
References & Citations
[1]Millan DS, et al. Design and Optimization of Benzopiperazines as Potent Inhibitors of BET Bromodomains. ACS Med Chem Lett. 2017 Jul 14;8 (8) :847-852.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

CID 118079501
CAS Number1778655-51-8
PubChem CID118079501
IUPAC Name1-[(2S)-4-(cyclopropanecarbonyl)-6-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
Molecular FormulaC25H29N3O4S
Molecular Weight467.6
XLogP2.2
Topological Polar Surface Area86.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity845
SMILES
C[C@H]1CN(C2=C(N1C(=O)C)C=CC(=C2)C3=CC=C(C=C3)N4CCS(=O)(=O)CC4)C(=O)C5CC5
InChI
InChI=1S/C25H29N3O4S/c1-17-16-27(25(30)20-3-4-20)24-15-21(7-10-23(24)28(17)18(2)29)19-5-8-22(9-6-19)26-11-13-33(31,32)14-12-26/h5-10,15,17,20H,3-4,11-14,16H2,1-2H3/t17-/m0/s1
InChIKey
BRFIYWZYWCKGBC-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of CID 118079501
CAS: 1778655-51-8
CID: 118079501
Formula: C25H29N3O4S
MW: 467.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.6
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass467.18787759
Monoisotopic Mass467.18787759
Topological Polar Surface Area86.4 Ų
Heavy Atom Count33
Formal Charge0
Complexity845
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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