Palbociclib Impurity 53 - CAS 733039-20-8
Catalog: |
BB034817 |
Product Name: |
Palbociclib Impurity 53 |
CAS: |
733039-20-8 |
Synonyms: |
5-bromo-2-chloro-N-cyclopentyl-4-pyrimidinamine; 5-bromo-2-chloro-N-cyclopentylpyrimidin-4-amine |
IUPAC Name: | 5-bromo-2-chloro-N-cyclopentylpyrimidin-4-amine |
Description: | Palbociclib Impurity 53 is an impurity of Palbociclib, a medication for the treatment of HR-positive and HER2-negative breast cancer. It is a selective inhibitor of the cyclin-dependent kinases CDK4 and CDK6. |
Molecular Weight: | 276.56 |
Molecular Formula: | C9H11BrClN3 |
Canonical SMILES: | C1CCC(C1)NC2=NC(=NC=C2Br)Cl |
InChI: | InChI=1S/C9H11BrClN3/c10-7-5-12-9(11)14-8(7)13-6-3-1-2-4-6/h5-6H,1-4H2,(H,12,13,14) |
InChI Key: | DIVUXBABVYOIOT-UHFFFAOYSA-N |
Boiling Point: | 424.0±30.0 °C at 760 mmHg |
Purity: | >95% |
Density: | 1.6±0.1 g/cm3 |
Appearance: | Solid |
Storage: | Store at -20°C |
MDL: | MFCD13181206 |
LogP: | 3.32000 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111362939-A | Preparation method of palbociclib parent nucleus structure compound | 20200426 |
CN-111362939-B | Preparation method of palbociclib parent nucleus structure compound | 20200426 |
CN-111303162-A | Preparation method of 2-chloro-7-cyclopentyl-7H-pyrrolo [2,3-d ] pyrimidine-6-carboxylic acid | 20200416 |
CN-111303162-B | Preparation method of 2-chloro-7-cyclopentyl-7H-pyrrolo [2,3-d ] pyrimidine-6-carboxylic acid | 20200416 |
US-2020316064-A1 | Cyclin-dependent kinase 2 biomarkers and uses thereof | 20190215 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.98249 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.98249 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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