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Tenalisib

CAT: 0127-BUP04682-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP04682-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1639417-53-0
Synonyms
RP6530
Purity
=98%
Smiles
CC[C@H](Nc1ncnc2nc[nH]c12)c1oc2ccccc2c(=O)c1-c1cccc(F)c1

Chemical Information

Tenalisib

Tenalisib is under investigation in clinical trial NCT03711604 (Compassionate Use Study of Tenalisib (RP6530)).

CAS Number1639417-53-0
PubChem CID86291103
IUPAC Name3-(3-fluorophenyl)-2-[(1S)-1-(7H-purin-6-ylamino)propyl]chromen-4-one
Molecular FormulaC23H18FN5O2
Molecular Weight415.4
XLogP4.2
Topological Polar Surface Area92.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity703
SMILES
CC[C@@H](C1=C(C(=O)C2=CC=CC=C2O1)C3=CC(=CC=C3)F)NC4=NC=NC5=C4NC=N5
InChI
InChI=1S/C23H18FN5O2/c1-2-16(29-23-19-22(26-11-25-19)27-12-28-23)21-18(13-6-5-7-14(24)10-13)20(30)15-8-3-4-9-17(15)31-21/h3-12,16H,2H2,1H3,(H2,25,26,27,28,29)/t16-/m0/s1
InChIKey
HDXDQPRPFRKGKZ-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Tenalisib
CAS: 1639417-53-0
CID: 86291103
Formula: C23H18FN5O2
MW: 415.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.4
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass415.14445300
Monoisotopic Mass415.14445300
Topological Polar Surface Area92.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity703
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

Alternative Products

CatalogName
BA8739-100Tenalisib
MBS3841780-01Tenalisib (RP6530)
MBS3611821-01Tenalisib(RP6530)
BT166452-01Tenalisib R Enantiomer
A16799-100Tenalisib (RP6530) 100mg

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