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Culmerciclib

CAT: 0957-E4703-1gSize: 1 gDry Ice: NoHazardous: No
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CAT#:0957-E4703-1gSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2004705-28-4
Synonyms
TQB3616
Target
CDK
Applications
Cell Cycle
Molecular Formula
C24H27FN8
Additionnal Information
Culmerciclib (TQB3616) is a potent inhibitor of cyclin dependent kinase (CDK) 4/6 and exhibits highly effective antineoplastic activity. TQB3616 exhibits significant synergistic antitumor activity in estrogen receptor (ER) -positive/HER2-negative or HER2-positive breast cancer when combined with endocrine therapy or Human Epidermal Growth Factor Receptor 2 (HER2) targeted therapy.

Chemical Information

Culmerciclib

Culmerciclib is a small molecule drug. The usage of the INN stem '-ciclib' in the name indicates that Culmerciclib is a cyclin dependant kinase inhibitor. Culmerciclib has a monoisotopic molecular weight of 446.23 Da.

CAS Number2004705-28-4
PubChem CID122544510
IUPAC Name5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine
Molecular FormulaC24H27FN8
Molecular Weight446.5
XLogP3.4
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity632
SMILES
CC(C)C1=C2C=C(C=CC2=NN1C)C3=NC(=NC=C3F)NC4=NC=C(C=C4)N5CCNCC5
InChI
InChI=1S/C24H27FN8/c1-15(2)23-18-12-16(4-6-20(18)31-32(23)3)22-19(25)14-28-24(30-22)29-21-7-5-17(13-27-21)33-10-8-26-9-11-33/h4-7,12-15,26H,8-11H2,1-3H3,(H,27,28,29,30)
InChIKey
LLFOBMRPWNABCB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Culmerciclib
CAS: 2004705-28-4
CID: 122544510
Formula: C24H27FN8
MW: 446.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.5
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass446.23427106
Monoisotopic Mass446.23427106
Topological Polar Surface Area83.8 Ų
Heavy Atom Count33
Formal Charge0
Complexity632
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
BA3875-25Culmerciclib
HY-147258ACulmerciclib (maleate)
A24280-100Culmerciclib (TQB3616) 100mg
A24280-50Culmerciclib (TQB3616) 50mg
A24280-10Culmerciclib (TQB3616) 10mg
A24280-5Culmerciclib (TQB3616) 5mg

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