Itk

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  1. PF 06465469
    CAS: 1407966-77-1 EC Number: 802-699-5 PubChem CID: 71450146 Formula: C30H33N7O2 Molecular Weight: 523.63
    ◐ .Made to order · 8–12 wks Item #: P288334
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    IUPAC Name
    3-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(3-methyl-4-propan-2-ylphenyl)benzamide
    SMILES
    CC1=C(C=CC(=C1)NC(=O)C2=CC=CC(=C2)C3=NN(C4=NC=NC(=C34)N)C5CCCN(C5)C(=O)C=C)C(C)C
    InChIKey
    CGJVMKJGKFEHTL-HSZRJFAPSA-N
    InChI
    1S/C30H33N7O2/c1-5-25(38)36-13-7-10-23(16-36)37-29-26(28(31)32-17-33-29)27(35-37)20-8-6-9-21(15-20)30(39)34-22-11-12-24(18(2)3)19(4)14-22/h5-6,8-9,11-show more
    Synonyms
    E98988 | HY-108691 | SCHEMBL22223727 | 1407966-77-1 | AKOS024458306 | Discontinued See A191400 | Discontinued See A19...
  2. GSK 2250665A
    CAS: 1246030-96-5 Formula: C26H29N5OS Molecular Weight: 459.61
    ◐ .Made to order · 8–12 wks Item #: G288473
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    IUPAC Name
    4-[[4-benzyl-6-[(6-ethyl-1,3-benzothiazol-2-yl)amino]pyrimidin-2-yl]amino]cyclohexan-1-ol
    SMILES
    CCC1=CC2=C(C=C1)N=C(S2)NC3=NC(=NC(=C3)CC4=CC=CC=C4)NC5CCC(CC5)O
    InChIKey
    DPRNXTSMYVCYLJ-UHFFFAOYSA-N
    InChI
    1S/C26H29N5OS/c1-2-17-8-13-22-23(15-17)33-26(29-22)31-24-16-20(14-18-6-4-3-5-7-18)28-25(30-24)27-19-9-11-21(32)12-10-19/h3-8,13,15-16,19,21,32H,2,9-12show more
    Synonyms
    trans-4-[[4-[(6-Ethyl-2-benzothiazolyl)amino]-6-(phenylmethyl)-2-pyrimidinyl]amino]cyclohexanol
  3. vecabrutinib, Tyrosine-protein kinase BTK inhibitor
    CAS: 1510829-06-7 PubChem CID: 72547837 Formula: C22H24ClF4N7O2 Molecular Weight: 529.9
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    ◐ .Made to order · 8–12 wks Item #: V614719
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    IUPAC Name
    (3R,4S)-1-(6-amino-5-fluoropyrimidin-4-yl)-3-[(3R)-3-[3-chloro-5-(trifluoromethyl)anilino]-2-oxopiperidin-1-yl]piperidine-4-carboxamide
    SMILES
    C1CC(C(=O)N(C1)C2CN(CCC2C(=O)N)C3=NC=NC(=C3F)N)NC4=CC(=CC(=C4)C(F)(F)F)Cl
    InChIKey
    QLRRJMOBVVGXEJ-XHSDSOJGSA-N
    InChI
    1S/C22H24ClF4N7O2/c23-12-6-11(22(25,26)27)7-13(8-12)32-15-2-1-4-34(21(15)36)16-9-33(5-3-14(16)19(29)35)20-17(24)18(28)30-10-31-20/h6-8,10,14-16,32H,1-show more
    Synonyms
    HY-109078 | ZB1596 | GTPL10231 | (3R,3'R,4'S)-1'-(6-AMINO-5-FLUOROPYRIMIDIN-4-YL)-3-((3-CHLORO-5-(TRIFLUOROMETHYL)PHE...
  4. BMS-509744, Inhibitor of IL2 inducible T cell kinase
    CAS: 439575-02-7 PubChem CID: 11467730 Formula: C32H41N5O4S2 Molecular Weight: 623.83
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ◐ .Made to order · 8–12 wks Item #: B608130
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    IUPAC Name
    N-[5-[5-(4-acetylpiperazine-1-carbonyl)-4-methoxy-2-methylphenyl]sulfanyl-1,3-thiazol-2-yl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamide
    SMILES
    CC1=CC(=C(C=C1SC2=CN=C(S2)NC(=O)C3=CC=C(C=C3)CNC(C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC
    InChIKey
    ZHXNIYGJAOPMSO-UHFFFAOYSA-N
    InChI
    1S/C32H41N5O4S2/c1-20-16-26(41-7)25(30(40)37-14-12-36(13-15-37)22(3)38)17-27(20)42-28-19-34-31(43-28)35-29(39)24-10-8-23(9-11-24)18-33-21(2)32(4,5)6/hshow more
    Synonyms
    UNII-5V7VG25953 | BMS 509744 | BMS509744 | BMS-509744 | HY-11092 | CHEBI:91404 | N-(5-((5-(4-Acetylpiperazine-1-carbo...
  5. PRN694, Inhibitor of BLK proto-oncogene; Src family tyrosine kinase;Inhibitor of BMX non-receptor tyrosine kinase;Inhibitor of Bruton tyrosine kinase;Inhibitor of IL2 inducible T cell kinase;Inhibitor of Janus kinase 3;Inhibitor of tec protein tyrosine kinase;Inh
    CAS: 1575818-46-0 PubChem CID: 90044055
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    ◐ .Made to order · 8–12 wks Item #: P612926
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    IUPAC Name
    5-(difluoromethyl)-N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-[[(2R)-1-prop-2-enoylpyrrolidin-2-yl]methyl]benzimidazol-2-yl]thiophene-2-carboshow more
    SMILES
    C=CC(=O)N1CCC[C@@H]1Cn1c(NC(=O)c2ccc(s2)C(F)F)nc2c1ccc(c2)CN[C@H](C(C)(C)C)C
    InChIKey
    NXTKFBGDLDPFLB-PKOBYXMFSA-N
    InChI
    1S/C28H35F2N5O2S/c1-6-24(36)34-13-7-8-19(34)16-35-21-10-9-18(15-31-17(2)28(3,4)5)14-20(21)32-27(35)33-26(37)23-12-11-22(38-23)25(29)30/h6,9-12,14,17,1show more
    Synonyms
    5-(Difluoromethyl)-N-(5-((((2S)-3,3-dimethylbutan-2-yl)amino)methyl)-1-(((2R)-1-prop-2-enoylpyrrolidin-2-yl)methyl)be...
  6. ITK inhibitor 2
    CAS: 1309784-09-5 PubChem CID: 135980528 Formula: C25H33N5O2 Molecular Weight: 435.56
    ◐ .Made to order · 8–12 wks Item #: I649169
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    IUPAC Name
    (2S)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-N-methyl-2-morpholin-4-ylpropanamide
    SMILES
    CC(C(=O)N(C)C1=CC2=C(C=C1)C=C(N2)C3=NNC4=C3CCC(C4)(C)C)N5CCOCC5
    InChIKey
    ZZZXGCPVQQOASC-INIZCTEOSA-N
    InChI
    1S/C25H33N5O2/c1-16(30-9-11-32-12-10-30)24(31)29(4)18-6-5-17-13-21(26-20(17)14-18)23-19-7-8-25(2,3)15-22(19)27-28-23/h5-6,13-14,16,26H,7-12,15H2,1-4H3show more
  7. ITK antagonist
    CAS: 1149753-56-9 PubChem CID: 44201333
    ◐ .Made to order · 8–12 wks Item #: I1452345
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    IUPAC Name
    N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide
    SMILES
    CC(C(C)(C)C)NCC1=CC2=C(C=C1)N(C(=N2)NC(=O)C3=CC=C(S3)C4=CNN=C4)CC(C)(C)O
    InChIKey
    MUAICZWSFWUFNA-INIZCTEOSA-N
    InChI
    1S/C26H34N6O2S/c1-16(25(2,3)4)27-12-17-7-8-20-19(11-17)30-24(32(20)15-26(5,6)34)31-23(33)22-10-9-21(35-22)18-13-28-29-14-18/h7-11,13-14,16,27,34H,12,1show more
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R&D Use Only Products supplied for research and development use

Frequently Asked Questions

Which compounds are listed for Itk?
Compounds associated with Itk are grouped here under the Protein Tyrosine Kinase/RTK classification, with mechanism, structure, and reported potency shown per entry. Use it as a starting shortlist rather than a final selection.
How does Itk sit within Protein Tyrosine Kinase/RTK?
Itk is one target listing within the Protein Tyrosine Kinase/RTK classification. Compounds here may also appear under related targets, so check the selectivity data rather than assuming the annotation is exclusive.
What data should I check before ordering a compound from Itk?
For compounds listed under Itk, check purity — typically 98% or better by HPLC — the reported potency and the assay it was measured in, solubility and recommended stock solvent, and storage and stability. Batch-specific values are given on the Certificate of Analysis. All products are supplied for professional research and development use only, and are not for use in humans, animals, diagnostics, or therapy.
How do I find related targets or backup compounds for Itk?
Browse the parent Protein Tyrosine Kinase/RTK listing to reach targets neighbouring Itk, and use the structure search to find analogs of a compound that worked. Unlisted compounds and bulk quantities: [email protected]. We supply verified businesses, research institutions, universities, and government agencies.

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