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439575-02-7

N-(5-((5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl)thio)thiazol-2-yl)-4-(((3,3-dimethylbutan-2-yl)amino)methyl)benzamide, also known as BMS 509744, is a potent and selective inhibitor of interleukin-2 inducible T cell kinase (ITK). It is a complex organic compound with a unique chemical structure that allows it to target and inhibit the activity of ITK, a protein involved in T cell activation and immune response.

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  • N-(5-{[5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl]sulfanyl}-1,3-thiazol-2-yl)-4-{[(3,3-dimethylbutan-2-yl)amino]methyl}benzamide

    Cas No: 439575-02-7

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  • N-(5-((5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl)thio)thiazol-2-yl)-4-(((3,3-dimethylbutan-2-yl)amino)methyl)benzamide

    Cas No: 439575-02-7

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  • N-(5-((5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl)thio)thiazol-2-yl)-4-(((3,3-dimethylbutan-2-yl)amino)methyl)benzamide

    Cas No: 439575-02-7

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  • 439575-02-7 Structure

  • Basic information

    1. Product Name: N-(5-((5-(4-Acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl)thio)thiazol-2-yl)-4-(((3,3-dimethylbutan-2-yl)amino)methyl)benzamide
    2. Synonyms: BMS 509744;N-(5-((5-(4-Acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl)thio)thiazol-2-yl)-4-(((3,3-dimethylbutan-2-yl)amino)methyl)benzamide
    3. CAS NO:439575-02-7
    4. Molecular Formula: C32H41N5O4S2
    5. Molecular Weight: 623.82904
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 439575-02-7.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.28
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: Soluble in DMSO
    9. PKA: 6.65±0.50(Predicted)
    10. CAS DataBase Reference: N-(5-((5-(4-Acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl)thio)thiazol-2-yl)-4-(((3,3-dimethylbutan-2-yl)amino)methyl)benzamide(CAS DataBase Reference)
    11. NIST Chemistry Reference: N-(5-((5-(4-Acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl)thio)thiazol-2-yl)-4-(((3,3-dimethylbutan-2-yl)amino)methyl)benzamide(439575-02-7)
    12. EPA Substance Registry System: N-(5-((5-(4-Acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl)thio)thiazol-2-yl)-4-(((3,3-dimethylbutan-2-yl)amino)methyl)benzamide(439575-02-7)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 439575-02-7(Hazardous Substances Data)

439575-02-7 Usage

Uses

Used in Pharmaceutical Industry:
BMS 509744 is used as an ITK inhibitor for the treatment of HIV infection. It has been shown to reduce HIV infection of primary CD4+ T cells in vitro, making it a promising candidate for the development of new antiretroviral therapies.
Used in Immunology Research:
BMS 509744 is also used as a research tool in immunology to study the role of ITK in T cell activation and immune response. By inhibiting ITK activity, researchers can gain insights into the molecular mechanisms underlying T cell function and the regulation of the immune system.

Check Digit Verification of cas no

The CAS Registry Mumber 439575-02-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,3,9,5,7 and 5 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 439575-02:
(8*4)+(7*3)+(6*9)+(5*5)+(4*7)+(3*5)+(2*0)+(1*2)=177
177 % 10 = 7
So 439575-02-7 is a valid CAS Registry Number.

439575-02-7Downstream Products

439575-02-7Relevant articles and documents

Synthesis method for thiazole compound with tyrosine kinase inhibitory activity

-

, (2016/11/17)

The invention relates to a synthesis method for a thiazole compound (I) with tyrosine kinase inhibitory activity. Compound (3) and compound (II) react under the effect of a condensing agent, and thereby the compound (I) is obtained. The synthesis method i

Discovery and SAR of 2-amino-5-(thioaryl)thiazoles as potent and selective Itk inhibitors

Das, Jagabandhu,Furch, Joseph A.,Liu, Chunjian,Moquin, Robert V.,Lin, James,Spergel, Steven H.,McIntyre, Kim W.,Shuster, David J.,O'Day, Kathleen D.,Penhallow, Becky,Hung, Chen-Yi,Doweyko, Arthur M.,Kamath, Amrita,Zhang, Hongjian,Marathe, Punit,Kanner, Steven B.,Lin, Tai-An,Dodd, John H.,Barrish, Joel C.,Wityak, John

, p. 3706 - 3712 (2007/10/03)

A series of structurally novel aminothiazole based small molecule inhibitors of Itk were prepared to elucidate their structure-activity relationships (SARs), selectivity, and cell activity in inhibiting IL-2 secretion in a Jurkat T-cell assay. Compound 3 is identified as a potent and selective Itk inhibitor which inhibits anti-TCR antibody induced IL-2 production in mice in vivo and was previously reported to reduce lung inflammation in a mouse model of ovalbumin induced allergy/asthma.

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