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Eciruciclib

CAT: 0931-T60025-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T60025-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1868086-40-1
Target
CDK
Related Pathways
Cell Cycle/Checkpoint
Purity
0.9973
Bioactivity
Eciruciclib is an inhibitor of CDK with antitumor properties.
Smiles
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nn(C)c(C(C)C)c4c3)nc2)CC1
Molecular Formula
C27H33FN8
Molecular Weight
488.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Eciruciclib

Eciruciclib is a small molecule drug. The usage of the INN stem '-ciclib' in the name indicates that Eciruciclib is a cyclin dependant kinase inhibitor. Eciruciclib has a monoisotopic molecular weight of 488.28 Da.

CAS Number1868086-40-1
PubChem CID118687700
IUPAC NameN-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-amine
Molecular FormulaC27H33FN8
Molecular Weight488.6
XLogP3.9
Topological Polar Surface Area75
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity689
SMILES
CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(N(N=C5C=C4)C)C(C)C)F
InChI
InChI=1S/C27H33FN8/c1-5-35-10-12-36(13-11-35)17-19-6-9-24(29-15-19)31-27-30-16-22(28)25(32-27)20-7-8-23-21(14-20)26(18(2)3)34(4)33-23/h6-9,14-16,18H,5,10-13,17H2,1-4H3,(H,29,30,31,32)
InChIKey
RLRQXKXWZNPYRB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Eciruciclib
CAS: 1868086-40-1
CID: 118687700
Formula: C27H33FN8
MW: 488.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.6
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass488.28122125
Monoisotopic Mass488.28122125
Topological Polar Surface Area75 Ų
Heavy Atom Count36
Formal Charge0
Complexity689
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19168785-01Eciruciclib

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