Afatinib D6

Chemical Name Afatinib D6
Alternate Names Afatinib Stable Isotopes, Stable Isotopes of Afatinib
CAT No. CS-CX-00057
CAS Registry# 1313874-96-2
Category Stable Isotopes
Stock IN-Stock
Mol. Wt. 491.98 g/mol
Mol. For. C₂₄H₁₉D₆ClFN₅O₃
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Parent API Afatinib
Purity 95%
Therapeutic Anti-Cancer / Oncology
Smileys ClC1=C(F)C=CC(NC2=NC=NC3=C2C=C(NC(/C=C/CN(C([2H])([2H])[2H])C([2H])([2H])[2H])=O)C(O[C@H]4CCOC4)=C3)=C1
Canonical Smiles CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4
InchIKey ULXXDDBFHOBEHA-VCXSEIMGSA-N
Inchl InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1/i1D3,2D3
IUPAC (E)-4-[bis(trideuteriomethyl)amino]-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]but-2-enamide
Controlled No
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Afatinib D6 is a deuterated analog of afatinib, which is a selective inhibitor of the epidermal growth factor receptor (EGFR) family of tyrosine kinases. The deuterium atom in Afatinib D6 replaces one of the hydrogen atoms in the original afatinib molecule, making it useful as a reference standard for drug metabolism studies. Afatinib D6 is most commonly used in research studies to determine its pharmacokinetics and metabolism in humans. It is also used in preclinical studies to investigate the mechanisms of action of afatinib and to develop new therapeutic strategies for cancer treatment. The chemical formula of Afatinib D6 is C24H18D6ClFN4O3, and its molecular weight is 490.99 g/mol. It is a white to off-white crystalline powder that is soluble in water, ethanol, and dimethyl sulfoxide. Afatinib D6 is a potent inhibitor of EGFR and HER2 tyrosine kinases, which are overexpressed in various types of cancer, including non-small cell lung cancer, breast cancer, and head and neck squamous cell carcinoma. By blocking the activity of these kinases, Afatinib D6 can inhibit cancer cell growth and induce apoptosis, leading to tumor shrinkage and improved patient outcomes. In conclusion, Afatinib D6 is a valuable tool for investigating the pharmacokinetics and metabolism of afatinib, and for developing new cancer therapies targeting EGFR and HER2 kinases.

Related Compounds

Afatinib 13C6 | Afatinib D4 |

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