IRE1

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  1. 6-Bromo-2-hydroxy-3-methoxybenzaldehyde
    CAS: 20035-41-0 EC Number: 627-492-5 Formula: C8H7BrO3 Molecular Weight: 231.05
    ● In Stock — US warehouse, ships to EU* Item #: B153189
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    IUPAC Name
    6-bromo-2-hydroxy-3-methoxybenzaldehyde
    SMILES
    COC1=C(C(=C(C=C1)Br)C=O)O
    InChIKey
    JUPJZUTYDWXZAQ-UHFFFAOYSA-N
    InChI
    1S/C8H7BrO3/c1-12-7-3-2-6(9)5(4-10)8(7)11/h2-4,11H,1H3
    Synonyms
    EN300-6498200 | J-012961 | SCHEMBL424251 | 6-Bromo-2-hydroxy-3-methoxybenzaldehyde, 98% | FT-0637938 | J-510172 | DS-...
  2. APY 29
    CAS: 1216665-49-4 Formula: C17H16N8 Molecular Weight: 332.36
    ● In Stock — US warehouse, ships to EU* Item #: A288548
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    IUPAC Name
    2-N-(3H-benzimidazol-5-yl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
    SMILES
    C1CC1C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CN5
    InChIKey
    WJNBSTLIALIIEW-UHFFFAOYSA-N
    InChI
    1S/C17H16N8/c1-2-10(1)13-8-16(25-24-13)22-15-5-6-18-17(23-15)21-11-3-4-12-14(7-11)20-9-19-12/h3-10H,1-2H2,(H,19,20)(H3,18,21,22,23,24,25)
    Synonyms
    (E)-N-(6-((5-cyclopropyl-1H-pyrazol-3-yl)imino)-1,6-dihydropyrimidin-2-yl)-1H-benzo[d]imidazol-6-amine | N2-1H-Benzim...
  3. Diphenylcyclopropenone(DPC)
    CAS: 886-38-4 EC Number: 212-948-4 Formula: C15H10O Molecular Weight: 206.24
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: A115107
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    IUPAC Name
    2,3-diphenylcycloprop-2-en-1-one
    SMILES
    C1=CC=C(C=C1)C2=C(C2=O)C3=CC=CC=C3
    InChIKey
    HCIBTBXNLVOFER-UHFFFAOYSA-N
    InChI
    1S/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10H
    Synonyms
    DPC | Cyclopropenone, 2,3-diphenyl- | NCGC00166113-01 | SR-01000644630-1 | AMY1261 | DIPHENCYPRONE [MI] | DIPHENYLCYC...
  4. B I09
    CAS: 1607803-67-7 Formula: C16H17NO5 Molecular Weight: 303.31
    ◐ .Made to order · 8–12 wks Item #: B287381
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    IUPAC Name
    7-(1,3-dioxan-2-yl)-8-hydroxy-1,2,3,4-tetrahydrochromeno[3,4-c]pyridin-5-one
    SMILES
    C1COC(OC1)C2=C(C=CC3=C2OC(=O)C4=C3CCNC4)O
    InChIKey
    UYYMWNUDIOPESF-UHFFFAOYSA-N
    InChI
    1S/C16H17NO5/c18-12-3-2-10-9-4-5-17-8-11(9)15(19)22-14(10)13(12)16-20-6-1-7-21-16/h2-3,16-18H,1,4-8H2
    Synonyms
    7-(1,3-Dioxan-2-yl)-1,2,3,4-tetrahydro-8-hydroxy-5H-[1]benzopyrano[3,4-c]pyridin-5-one
  5. Sunitinib Malate, Tyrosine-protein kinase receptor RET inhibitor
    CAS: 341031-54-7 EC Number: 638-825-9 Formula: C22H27FN4O2·C4H6O5 Molecular Weight: 532.56
    ● In Stock — US warehouse, ships to EU* Item #: E129728
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    IUPAC Name
    N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-hydroxybutanedioic acid
    SMILES
    CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C.C(C(C(=O)O)O)C(=O)O
    InChIKey
    LBWFXVZLPYTWQI-IPOVEDGCSA-N
    InChI
    1S/C22H27FN4O2.C4H6O5/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28;5-2(4(8)9)1-3(6)7/h7-8,11-12,25H,5-6,9-1show more
    Synonyms
    1H-Pyrrole-3-carboxamide, N-(2-(diethylamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4...
  6. Sunitinib, Inhibitor of fibroblast growth factor receptor 1;Inhibitor of fms related receptor tyrosine kinase 3;Inhibitor of fms related receptor tyrosine kinase 4;Inhibitor of kinase insert domain receptor;Inhibitor of KIT proto-oncogene; receptor tyrosine kinase;I
    CAS: 557795-19-4 EC Number: 111-194-2 PubChem CID: 5329102 Formula: C22H27FN4O2 Molecular Weight: 398.47
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    ● In Stock — US warehouse, ships to EU* Item #: S126061
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    IUPAC Name
    N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
    SMILES
    CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C
    InChIKey
    WINHZLLDWRZWRT-ATVHPVEESA-N
    InChI
    1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,show more
    Synonyms
    1H-Pyrrole-3-carboxamide,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl- | D08552 | C22H27FN4O2 | N-(2-(Diet...
  7. Toyocamycin
    CAS: 606-58-6 PubChem CID: 11824 Formula: C12H13N5O4 Molecular Weight: 291.26
    ● In Stock — US warehouse, ships to EU* Item #: T275971
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    IUPAC Name
    4-amino-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
    SMILES
    C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C#N
    InChIKey
    XOKJUSAYZUAMGJ-WOUKDFQISA-N
    InChI
    1S/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1
    Synonyms
    L7995C4D7F | 4-Amino-7-.beta.-D-ribofuranosyl-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile | NSC-99843 | Antibiotic E21...
  8. 4μ8C
    CAS: 14003-96-4 EC Number: 808-752-9 Formula: C11H8O4 Molecular Weight: 204.18
    ● In Stock — US warehouse, ships to EU* Item #: C167186
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    IUPAC Name
    7-hydroxy-4-methyl-2-oxochromene-8-carbaldehyde
    SMILES
    CC1=CC(=O)OC2=C1C=CC(=C2C=O)O
    InChIKey
    RTHHSXOVIJWFQP-UHFFFAOYSA-N
    InChI
    1S/C11H8O4/c1-6-4-10(14)15-11-7(6)2-3-9(13)8(11)5-12/h2-5,13H,1H3
    Synonyms
    IRE1 Inhibitor III | BB 0256929 | HMS3653K06 | 4?8C | F2158-2222 | 8-formyl-7-hydroxy-4-methylcoumarin | IRE1 Inhibit...
  9. 4μ8C
    CAS: 14003-96-4 EC Number: 808-752-9 Formula: C11H8O4 Molecular Weight: 204.18
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C421493
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    Technical Identifiers
    IUPAC Name
    7-hydroxy-4-methyl-2-oxochromene-8-carbaldehyde
    SMILES
    CC1=CC(=O)OC2=C1C=CC(=C2C=O)O
    InChIKey
    RTHHSXOVIJWFQP-UHFFFAOYSA-N
    InChI
    1S/C11H8O4/c1-6-4-10(14)15-11-7(6)2-3-9(13)8(11)5-12/h2-5,13H,1H3
    Synonyms
    BB 0256929 | HMS3653K06 | 4?8C | F2158-2222 | 8-formyl-7-hydroxy-4-methylcoumarin | IRE1 Inhibitor III | J-007348 | S...
  10. 6-Bromo-2-hydroxy-3-methoxybenzaldehyde
    CAS: 20035-41-0 EC Number: 627-492-5 Formula: C8H7BrO3 Molecular Weight: 231.05
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: B422438
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    Technical Identifiers
    IUPAC Name
    6-bromo-2-hydroxy-3-methoxybenzaldehyde
    SMILES
    COC1=C(C(=C(C=C1)Br)C=O)O
    InChIKey
    JUPJZUTYDWXZAQ-UHFFFAOYSA-N
    InChI
    1S/C8H7BrO3/c1-12-7-3-2-6(9)5(4-10)8(7)11/h2-4,11H,1H3
    Synonyms
    EN300-6498200 | J-012961 | SCHEMBL424251 | 6-Bromo-2-hydroxy-3-methoxybenzaldehyde, 98% | FT-0637938 | J-510172 | DS-...
  11. AMG 18 hydrochloride
    CAS: 2250019-92-0 PubChem CID: 134160238 Formula: C31H29ClN6O3S.HCl Molecular Weight: 637.58
    ● In Stock — US warehouse, ships to EU* Item #: A288841
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    Technical Identifiers
    IUPAC Name
    2-chloro-N-[6-methyl-5-[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]benzenesulfonamide;hydrochloride
    SMILES
    CC1=C(C2=C(C=C1)C(=CC=C2)NS(=O)(=O)C3=CC=CC=C3Cl)OC4=C(C=CC=N4)C5=NC(=NC=C5)NC6CCCNC6.Cl
    InChIKey
    CNWIPRHGMZTPSB-BOXHHOBZSA-N
    InChI
    1S/C31H29ClN6O3S.ClH/c1-20-13-14-22-23(8-4-11-27(22)38-42(39,40)28-12-3-2-10-25(28)32)29(20)41-30-24(9-6-17-34-30)26-15-18-35-31(37-26)36-21-7-5-16-33show more
    Synonyms
    2-Chloro-N-[6-methyl-5-[[3-[2-[(3S)-3-piperidinylamino]-4-pyrimidinyl]-2-pyridinyl]oxy]-1-naphthalenyl]benzenesulfona...
  12. APY 29
    CAS: 1216665-49-4 Formula: C17H16N8 Molecular Weight: 332.36
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A420934
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    Technical Identifiers
    IUPAC Name
    2-N-(3H-benzimidazol-5-yl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
    SMILES
    C1CC1C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CN5
    InChIKey
    WJNBSTLIALIIEW-UHFFFAOYSA-N
    InChI
    1S/C17H16N8/c1-2-10(1)13-8-16(25-24-13)22-15-5-6-18-17(23-15)21-11-3-4-12-14(7-11)20-9-19-12/h3-10H,1-2H2,(H,19,20)(H3,18,21,22,23,24,25)
    Synonyms
    (E)-N-(6-((5-cyclopropyl-1H-pyrazol-3-yl)imino)-1,6-dihydropyrimidin-2-yl)-1H-benzo[d]imidazol-6-amine;N2-1H-Benzimid...
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Frequently Asked Questions

How is the IRE1 listing put together?
It draws on reported IRE1 annotations within Cell Cycle/DNA Damage and lists each compound with its structure, identifiers, and the activity published for it. Always check the underlying assay before comparing potency values across entries.
How do I choose an IRE1 modulator for my assay?
Start from the assay format and readout — biochemical, cell-based, or in vivo — then compare the IRE1 entries on potency, selectivity over related family members, and solubility in your vehicle. Where several chemotypes are available, a reference compound plus a structurally unrelated backup is the usual way to control for off-target effects.
Which specifications matter most for IRE1 compounds?
Purity and identity confirmation come first, then solubility in DMSO or your chosen vehicle, recommended storage temperature, and stability in solution. For IRE1 work in particular, freshly prepared stocks avoid most of the reproducibility problems seen with stored plates. All products are supplied for professional research and development use only, and are not for use in humans, animals, diagnostics, or therapy.
What if the IRE1 compound I need is not listed?
Search by CAS number or SMILES first, since analogs of IRE1 compounds are often catalogued under a related target. Custom synthesis and bulk enquiries go to [email protected]. We supply verified businesses, research institutions, universities, and government agencies.

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