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Tilpisertib

CAT: 0013-GTR19189451-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189451-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Tilpisertib is a small molecule inhibitor targeting serine/threonine kinases, as disclosed in patent WO2017007689. It is a research tool used in biochemical and cellular studies to investigate kinase signaling pathways in both in vitro and in vivo experimental models.
CAS Number
2065153-41-3
Field of Research
Cell Biology, Metabolism Research, Protein Biochemistry
Purity
99.88% (May vary between batches)
Smiles
[C@@H] (NC1=CC=2C (NCC (C) (C) C) =C (C#N) C=NC2C (Cl) =C1) (C3=CN (C45CC (C4) C5) N=N3) C6=C7C (C (=O) N (C) C=C7) =CC=C6
Molecular Formula
C33H33ClN8O
Molecular Weight
593.13
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tilpisertib
CAS Number2065153-41-3
PubChem CID124181541
IUPAC Name6-[[(S)-[1-(1-bicyclo[1.1.1]pentanyl)triazol-4-yl]-(2-methyl-1-oxoisoquinolin-5-yl)methyl]amino]-8-chloro-4-(2,2-dimethylpropylamino)quinoline-3-carbonitrile
Molecular FormulaC33H33ClN8O
Molecular Weight593.1
XLogP6
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count43
Formal Charge0
Complexity1130
SMILES
CC(C)(C)CNC1=C2C=C(C=C(C2=NC=C1C#N)Cl)N[C@@H](C3=CC=CC4=C3C=CN(C4=O)C)C5=CN(N=N5)C67CC(C6)C7
InChI
InChI=1S/C33H33ClN8O/c1-32(2,3)18-37-28-20(15-35)16-36-29-25(28)10-21(11-26(29)34)38-30(27-17-42(40-39-27)33-12-19(13-33)14-33)23-6-5-7-24-22(23)8-9-41(4)31(24)43/h5-11,16-17,19,30,38H,12-14,18H2,1-4H3,(H,36,37)/t19?,30-,33?/m0/s1
InChIKey
VFGSKBLZRDRHOI-ZAGPDIDGSA-N
Chemical Structure
2D Structure
2D structure of Tilpisertib
CAS: 2065153-41-3
CID: 124181541
Formula: C33H33ClN8O
MW: 593.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight593.1
XLogP36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass592.2465854
Monoisotopic Mass592.2465854
Topological Polar Surface Area112 Ų
Heavy Atom Count43
Formal Charge0
Complexity1130
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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