Cas no 1847461-43-1 (Mobocertinib)

Mobocertinib structure
Mobocertinib structure
Product Name:Mobocertinib
CAS No:1847461-43-1
MF:C32H39N7O4
MW:585.6966
MDL:MFCD32669806
CID:4730238
PubChem ID:118607832
Update Time:2024-11-04

Mobocertinib Chemical and Physical Properties

Names and Identifiers

    • Mobocertinib
    • mobocertinib (proposed INN)
    • TAK788
    • 39HBQ4A67L
    • GTPL10468
    • BDBM368374
    • US10227342, Example 10
    • example 94 [WO2015195228A1]
    • propan-2-yl 2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-(prop-2-enoylamino)anilino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
    • AP32788
    • Isopropyl 2-((5-acrylamido-4-((2-(dimethylamino)ethyl)(methyl)amino)-2-methoxyphenyl)amino)-4-(1-methyl-1H-indol-3-yl)pyrimidine-5-carboxylate
    • 1-Methylethyl 2-[[4-[[2-(dimethylamino)ethyl]methylamino]-2-methoxy-5-[(1-oxo-2-propen-1-yl)amino]phenyl]amino]-4-(1-methyl-1H-indo
    • AKOS040759315
    • CS-0114256
    • Mobocertinib(TAK-788)
    • AC-36436
    • XYC46143
    • MOBOCERTINIB [WHO-DD]
    • CHEMBL4650319
    • MFCD32669806
    • EX-A3392
    • TAK-788
    • AP-32788
    • Exkivity
    • TAK 788
    • SY274296
    • Mobocertinib (USAN/INN)
    • NSC-825519
    • propan-2-yl 2-[(4-{[2-(dimethylamino)ethyl](methyl)amino}-2-methoxy-5-(prop-2-enamido)phenyl)amino]-4-(1-methyl-1H-indol-3-yl)pyrimidine-5-carboxylate
    • MS-30474
    • Mobocertinib [USAN]
    • HY-135815
    • 1-Methylethyl 2-[[4-[[2-(dimethylamino)ethyl]methylamino]-2-methoxy-5-[(1-oxo-2-propen-1-yl)amino]phenyl]amino]-4-(1-methyl-1H-indol-3-yl)-5-pyrimidinecarboxylate
    • DA-55589
    • AT30193
    • EGFR/HER2 Inhibitor TAK-788
    • AP 32788
    • NSC825519
    • Isopropyl 2-(5-acrylamido-4-((2-(dimethylamino)ethyl)(methyl)amino)-2-methoxyphenylamino)-4-(1-methyl-1H-indol-3-yl)pyrimidine-5-carboxylate
    • TAK-788;AP32788
    • s6813
    • Mobocertinib [INN]
    • Mobocertinib(TAK-788)?
    • Propan-2-yl 2-(5-(acryloylamino)-4-((2-(dimethylamino)ethyl)(methyl)amino)-2-methoxyanilino)-4-(1-methyl-1H-indol-3-yl)pyrimidine-5-carboxylate
    • DTXSID201336749
    • 1847461-43-1
    • D12001
    • Mobocertinib (TAK788)
    • BCP31045
    • Mobocertinib [USAN:INN]
    • 5-Pyrimidinecarboxylic acid, 2-((4-((2-(dimethylamino)ethyl)methylamino)-2-methoxy-5-((1-oxo-2-propen-1-yl)amino)phenyl)amino)-4-(1-methyl-1H-indol-3-yl)-, 1-methylethyl ester
    • SCHEMBL17373133
    • isopropyl 2-[(4-{[2-(dimethylamino)ethyl](methyl)amino}-2-methoxy-5-(prop-2-enamido)phenyl)amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
    • D81621
    • UNII-39HBQ4A67L
    • example 94 (WO2015195228A1)
    • TAK-788;TAK 788; TAK788; AP32788; AP-32788; AP 32788
    • WHO 11183
    • MDL: MFCD32669806
    • Inchi: 1S/C32H39N7O4/c1-9-29(40)34-24-16-25(28(42-8)17-27(24)38(6)15-14-37(4)5)35-32-33-18-22(31(41)43-20(2)3)30(36-32)23-19-39(7)26-13-11-10-12-21(23)26/h9-13,16-20H,1,14-15H2,2-8H3,(H,34,40)(H,33,35,36)
    • InChI Key: AZSRSNUQCUDCGG-UHFFFAOYSA-N
    • SMILES: O(C([H])([H])[H])C1C([H])=C(C(=C([H])C=1N([H])C1=NC([H])=C(C(=O)OC([H])(C([H])([H])[H])C([H])([H])[H])C(C2=C([H])N(C([H])([H])[H])C3=C([H])C([H])=C([H])C([H])=C23)=N1)N([H])C(C([H])=C([H])[H])=O)N(C([H])([H])[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]

Computed Properties

  • Exact Mass: 585.30635275 g/mol
  • Monoisotopic Mass: 585.30635275 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 43
  • Rotatable Bond Count: 13
  • Complexity: 935
  • 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
  • XLogP3: 4.4
  • Topological Polar Surface Area: 114
  • Molecular Weight: 585.7

Experimental Properties

  • Solubility: 152mg/mL @ pH 1.0; >17.6 mg/mL @ pH 6.8

Mobocertinib Security Information

  • Signal Word:Warning
  • Storage Condition:Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

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Mobocertinib Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:1847461-43-1)AK-788
Order Number:LE25955563
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:54
Price ($):discuss personally
Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:1847461-43-1)AK-788
LE25955563
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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