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Nanatinostat

CAT: 0607-BA4126-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA4126-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1256448-47-1
Form
A solid
Molecular Formula
C20H19FN6O2
Molecular Weight
394.40
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Nanatinostat

Nanatinostat is under investigation in clinical trial NCT00697879 (Safety Study of the Histone Deacetylase Inhibitor, CHR-3996, in Patients With Advanced Solid Tumours).

CAS Number1256448-47-1
PubChem CID49857317
IUPAC Name2-[(1S,5R)-6-[(6-fluoroquinolin-2-yl)methylamino]-3-azabicyclo[3.1.0]hexan-3-yl]-N-hydroxypyrimidine-5-carboxamide
Molecular FormulaC20H19FN6O2
Molecular Weight394.4
XLogP1
Topological Polar Surface Area103
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity592
SMILES
C1[C@@H]2[C@@H](C2NCC3=NC4=C(C=C3)C=C(C=C4)F)CN1C5=NC=C(C=N5)C(=O)NO
InChI
InChI=1S/C20H19FN6O2/c21-13-2-4-17-11(5-13)1-3-14(25-17)8-22-18-15-9-27(10-16(15)18)20-23-6-12(7-24-20)19(28)26-29/h1-7,15-16,18,22,29H,8-10H2,(H,26,28)/t15-,16+,18?
InChIKey
QRGHOAATPOLDPF-BYICEURKSA-N
Chemical Structure
2D Structure
2D structure of Nanatinostat
CAS: 1256448-47-1
CID: 49857317
Formula: C20H19FN6O2
MW: 394.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.4
XLogP31
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass394.15535203
Monoisotopic Mass394.15535203
Topological Polar Surface Area103 Ų
Heavy Atom Count29
Formal Charge0
Complexity592
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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