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PF07104091

CAT: 0931-T9712-08Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T9712-08Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2460249-19-6
Target
CDK
Related Pathways
Cell Cycle/Checkpoint
Purity
0.9959
Bioactivity
PF07104091 inhibits CDK2, which may lead to cell cycle arrest, induce apoptosis and inhibit tumor cell proliferation.[1]
Smiles
N(C(=O)C1=CC(COC)=NN1C)C2=CC(=NN2)[C@@H]3C[C@H](OC(NC(C)C)=O)CC3
Molecular Formula
C19H28N6O4
Molecular Weight
404.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tegtociclib

Tegtociclib is a small molecule drug. The usage of the INN stem '-ciclib' in the name indicates that Tegtociclib is a cyclin dependant kinase inhibitor. Tegtociclib is under investigation in clinical trial NCT05262400 (A Study to Learn About the Study Medicine (Called PF-07220060 in Combination With PF-07104091) In Participants With Breast Cancer and Solid Tumors). Tegtociclib has a monoisotopic molecular weight of 404.22 Da.

CAS Number2460249-19-6
PubChem CID154616422
IUPAC Name[(1R,3S)-3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
Molecular FormulaC19H28N6O4
Molecular Weight404.5
XLogP1.2
Topological Polar Surface Area123
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity577
SMILES
CC(C)NC(=O)O[C@@H]1CC[C@@H](C1)C2=CC(=NN2)NC(=O)C3=CC(=NN3C)COC
InChI
InChI=1S/C19H28N6O4/c1-11(2)20-19(27)29-14-6-5-12(7-14)15-9-17(23-22-15)21-18(26)16-8-13(10-28-4)24-25(16)3/h8-9,11-12,14H,5-7,10H2,1-4H3,(H,20,27)(H2,21,22,23,26)/t12-,14+/m0/s1
InChIKey
MTNBRBDFNSGQKB-GXTWGEPZSA-N
Chemical Structure
2D Structure
2D structure of Tegtociclib
CAS: 2460249-19-6
CID: 154616422
Formula: C19H28N6O4
MW: 404.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.5
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass404.21720340
Monoisotopic Mass404.21720340
Topological Polar Surface Area123 Ų
Heavy Atom Count29
Formal Charge0
Complexity577
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

Alternative Products

CatalogName
MBS3617363-01PF07104091

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