Cas no 152459-95-5 (Imatinib)

Imatinib is a tyrosine kinase inhibitor (TKI) that selectively targets BCR-ABL fusion protein in chronic myeloid leukemia (CML) cells, effectively inhibiting proliferation and inducing apoptosis. Its key advantages include rapid onset of action, high efficacy, and minimal side effects, making it an essential treatment option for patients with CML.
Imatinib structure
Imatinib structure
Product Name:Imatinib
CAS No:152459-95-5
MF:C29H31N7O
MW:493.6027
MDL:MFCD05662257
CID:65274
PubChem ID:5291
Update Time:2025-10-28

Imatinib Chemical and Physical Properties

Names and Identifiers

    • IMATINIB
    • AKOS 91378
    • IMA-3
    • IMATINIB-D3
    • Benzamide, 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-
    • Imatinib Mesilate
    • 4-[(4-Methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide methanesulfonate
    • Imatinib mesylate
    • 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE
    • Imatinib (4-[(4-Methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
    • 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
    • Imatinib (CGP-57148B,CGP 57148,STI-571)
    • Imatinib (STI571)
    • N-(4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide
    • 1iep
    • 1xbb
    • Imatinib free base
    • STI571
    • STI-571
    • UNII-BKJ8M8G5HI
    • Veenat
    • ST-1571
    • CGP057148B
    • IMatinib-D4
    • Imantinib base
    • IMATINIB 99+%
    • Cgp 57148
    • Imatinib [INN:BAN]
    • STI 571
    • Imatinib Methansulfonate
    • Imatinib(STI571)
    • CGP 57148B
    • BKJ8M8G5HI
    • 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimi
    • CGP-57148B
    • HMS3244P10
    • 152459-95-5
    • DB00619
    • Imatinib base
    • 4-(4-Methylpiperazin-1-ylmethyl)-N-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide; CGP 57148; Genfatinib; Imatinib, Benzamide, 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-
    • N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
    • 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[(4-(3-pyridinyl)-2-pyrimidinyl]amino]-phenyl]benzamide
    • HY-15463
    • SB17306
    • NSC 759854
    • HMS3244P06
    • SY028029
    • 1080014-82-9
    • Gleevec (TN) (Novartis)
    • AB00698388-11
    • SR-01000763561-4
    • Q-201231
    • BRD-K92723993-066-22-7
    • 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide methanesulfonate
    • Kinome_3724
    • Imatinib (INN)
    • D08066
    • MFCD05662257
    • AB00698388_16
    • EN300-123057
    • SR-01000763561
    • cid_5291
    • STI-571; IMATINIB
    • BI164570
    • IMATINIB [WHO-DD]
    • STI
    • AKOS000280662
    • SCHEMBL3827
    • 4-[(4-methyl-1-piperazinyl)methyl]-n[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide
    • 4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide
    • HMS3244P14
    • GTPL5687
    • NCGC00159456-05
    • MRF-0000449
    • N-[4-Methyl-3-[[4-(3-pyridyl)-2-pyrimidyl]amino]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]benzamide
    • SW197805-5
    • 4-[(4-methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide
    • ST 1571
    • 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-(4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL)-BENZAMIDE
    • BENZAMIDE, 4-((4-METHYL-1-PIPERAZINYL)METHYL)-N-(4-METHYL-3-((4-(3-PYRIDINYL)-2-PYRIMIDINYL)AMINOPHENYL)-
    • NCGC00159456-04
    • IMATINIB [EMA EPAR]
    • Imatinib (Gleevec)
    • HMS3715P03
    • 4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3- pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide
    • CS-0964
    • N-(3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)-4-methylphenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide
    • BRD-K92723993-066-04-5
    • 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide
    • NCGC00159456-01
    • NSC-743414
    • DTXSID3037125
    • 4-((4-Methyl-1-piperazinyl)methyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)benzamide
    • AB00698388-10
    • PA-5291
    • BCPP000205
    • NSC743414
    • Q177094
    • 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
    • AB00698388_15
    • alpha-(4-Methyl-1-piperazinyl)-3'-((4-(3-pyridyl)-2-pyrimidinyl)amino)-p-tolu-p-toluidide
    • alpha-(4-methyl-1-piperazinyl)-3'-((4-(3-pyridyl)-2-pyrimidinyl)amino)-p-toluidide
    • CCRIS 9076
    • Glamox (TN)
    • NCGC00159456-06
    • NS00009172
    • NCGC00159456-03
    • S2475
    • NCGC00159456-02
    • IMATINIB [INN]
    • AB00698388-07
    • NCGC00159456-16
    • BRD-K92723993-066-02-9
    • Imatinib, Free base
    • AC-524
    • Z1546624232
    • 4-[(4-methyl-1-piperazinyl)-methyl]-N-{4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]-amino]-phenyl)-benzamide
    • NCGC00159456-09
    • SDCCGSBI-0634386.P009
    • ES-0058
    • Benzamide, 4-((4-methyl)-1-piperazinyl)methyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)-
    • CCG-101289
    • NSC800772
    • IMATINIB [MI]
    • HMS2089D03
    • BRD-K92723993-001-06-7
    • Imatinib, 21
    • ST1571
    • CGP-57148
    • NSC-800772
    • SR-01000763561-6
    • EX-A063
    • BRD-K92723993-001-12-5
    • NSC-759854
    • BCP9000775
    • N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide
    • 152459-95-5 (free base)
    • BCP01542
    • Gleevec(TM)
    • AB00698388-12
    • AB00698388-13
    • Imatinibum
    • imatinib-CD3
    • I0906
    • Pharmakon1600-01502276
    • 4-((4-methylpiperazin-1-yl)methyl)-n-(4-methyl-3-((4-pyridin-3-ylpyrimidin-2-yl)amino)phenyl)benzamide
    • CHEBI:45783
    • BIDD:GT0047
    • IMATINIB [VANDF]
    • Glamox
    • HMS3656K04
    • 4-(4-Me-piperazin-1-ylmethyl)-N-[4-Me-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide
    • 4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-phenyl]benzamide
    • Benzamide, 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]- (9CI)
    • NCGC00159456-07
    • CHEMBL941
    • STK617705
    • 112GI019
    • L01XE01
    • NSC 743414
    • 4-[(4-methyl-1-piperazinyl)-methyl]-N-{4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]-amino]-phenyl}-benzamide
    • NSC759854
    • BDBM13530
    • 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide
    • DTXCID1017125
    • Imatinib
    • MDL： MFCD05662257
    • Inchi： 1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
    • InChI Key： KTUFNOKKBVMGRW-UHFFFAOYSA-N
    • SMILES： O=C(C1C([H])=C([H])C(=C([H])C=1[H])C([H])([H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])N([H])C1C([H])=C([H])C(C([H])([H])[H])=C(C=1[H])N([H])C1=NC([H])=C([H])C(C2=C([H])N=C([H])C([H])=C2[H])=N1

Computed Properties

  • Exact Mass: 493.25900
  • Monoisotopic Mass: 493.259
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 7
  • Complexity: 706
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 6
  • XLogP3: 3.5
  • Topological Polar Surface Area: 86.3

Experimental Properties

  • Color/Form: Powder
  • Density: 1.3000
  • Melting Point: 207.0 to 211.0 deg-C
  • Boiling Point: 715.75° C
  • Flash Point: No data available
  • Refractive Index: 1.67
  • Solubility: DMSO 3 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
  • PSA: 86.28000
  • LogP: 4.61210
  • Sensitiveness: Sensitive to heat and air
  • Merck: 4902
  • pka: pKa1 8.07; pKa2 3.73; pKa3 2.56; pKa4 1.52(at 25℃)

Imatinib Security Information

Imatinib Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Imatinib Spectrogram

1H NMR 300 MHz DMSO
1H NMR
13C NMR
13C NMR

Imatinib Related Literature

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Additional information on Imatinib

Introduction to Imatinib (CAS No. 152459-95-5) and Its Latest Research Applications

Imatinib, chemically known by its CAS number 152459-95-5, is a groundbreaking compound that has revolutionized the field of oncology since its introduction in the early 2000s. As a small molecule tyrosine kinase inhibitor, Imatinib has demonstrated remarkable efficacy in treating certain types of cancer by specifically targeting abnormal proteins that drive tumor growth. This introduction aims to provide a comprehensive overview of Imatinib, its mechanism of action, clinical applications, and the most recent research developments that continue to expand its therapeutic potential.

The molecular structure of Imatinib (CAS No. 152459-95-5) is characterized by its ability to bind tightly to the ATP-binding site of specific kinases, thereby inhibiting their activity. This targeted inhibition is particularly effective against three major enzymes: c-Abl, BCR-Abl, and Kit. The c-Abl kinase is involved in various cellular processes, including cell growth and differentiation, while BCR-Abl is a hallmark of chronic myeloid leukemia (CML). Kit, on the other hand, plays a crucial role in hematopoietic stem cell development. By inhibiting these kinases, Imatinib disrupts the signaling pathways that lead to uncontrolled cell proliferation, making it an invaluable tool in cancer therapy.

One of the most significant clinical applications of Imatinib has been in the treatment of chronic myeloid leukemia (CML). Before the advent of Imatinib, CML was considered incurable once it progressed beyond the chronic phase. However, Imatinib has changed this prognosis dramatically by achieving high response rates and long-term disease control. Studies have shown that patients treated with Imatinib exhibit deep molecular responses, meaning that levels of leukemia cells or markers are significantly reduced or undetectable. This has not only improved survival rates but also quality of life for CML patients.

In addition to CML, Imatinib has also shown promise in treating other cancers, including acute lymphoblastic leukemia (ALL), gastrointestinal stromal tumors (GIST), and Philadelphia chromosome-positive acute lymphoblastic leukemia (Ph+ ALL). The ability of Imatinib to cross the blood-brain barrier has been particularly beneficial for patients with Ph+ ALL, where central nervous system involvement is common. Research has demonstrated that intrathecal administration of Imatinib can effectively prevent and treat leukemic meningitis, highlighting its versatility in therapeutic approaches.

The latest research on Imatinib (CAS No. 152459-95-5) continues to explore new avenues for its application. One area of focus is combination therapy, where Imatinib is used alongside other agents to enhance treatment efficacy or overcome resistance. For instance, studies have investigated the combination of Imatinib with targeted therapies such as dasatinib or nilotinib in patients who have developed resistance to single-agent treatment. These combinations have shown promising results in maintaining response rates and delaying disease progression.

Another emerging field involves using Imatinib as a lead compound for developing novel anticancer agents. By understanding its mechanism of action and structure-activity relationships, researchers are designing next-generation inhibitors that are more potent and have fewer side effects. These efforts aim to address limitations such as drug resistance and toxicity associated with long-term use of Imatinib.

Recent advances in drug delivery systems have also contributed to enhancing the therapeutic potential of Imatinib. Nanotechnology-based formulations are being explored to improve bioavailability and target specificity. For example, liposomal encapsulation of Imatinib has shown increased tumor accumulation and reduced systemic toxicity compared to conventional oral formulations. Such innovations hold promise for improving patient outcomes and reducing treatment-related complications.

The role of biomarkers in guiding therapy with Imatinib has become increasingly important. Molecular monitoring techniques allow clinicians to track response to treatment at a genetic level, enabling personalized medicine approaches. For instance, minimal residual disease (MRD) assessment after Imatinib treatment can predict relapse risk and guide therapeutic decisions. This personalized approach ensures that patients receive the most appropriate care tailored to their individual biological profile.

Furthermore, research into the adverse effects associated with long-term use of Imatinib continues to evolve. While generally well-tolerated, some patients experience side effects such as fluid retention, nausea, and muscle cramps. New strategies are being developed to manage these adverse events effectively without compromising treatment efficacy. For example, dose adjustments or combination with anti-hypertensive medications can mitigate fluid retention issues.

The global impact of Imatinib extends beyond clinical practice into academic research and drug development pipelines. Its success has inspired similar kinase inhibitors for various cancers, demonstrating its significance as a paradigm-shifting therapeutic agent. Academic institutions and pharmaceutical companies continue to invest in research related to tyrosine kinase inhibitors like Imatinib, fostering innovation and improving patient care worldwide.

In conclusion, Imatinib(CAS No 152459-95-5) remains a cornerstone in modern oncology due to its targeted mechanism of action and broad clinical applications The latest research continues expand our understanding enhance therapeutic strategies making it an indispensable tool combat cancer effectively As advancements personalized medicine drug delivery systems biomarker analysis continue we can expect even greater progress leveraging potential this remarkable compound will undoubtedly shape future directions oncological treatments

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(CAS:152459-95-5)伊馬替尼
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