Altiratinib

HCID 54576299
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Basic information

CAS
1345847-93-9
Standard SMILES
O=C(Nc1cc(Oc2cc(F)c(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)ccn1)C1CC1
InChIKey
GNNDEPIMDAZHRQ-UHFFFAOYSA-N
Molecular formula
C26H21F3N4O4
Average molar mass
510.5 g/mol
Monoisotopic mass
510.15148965

Names & identifiers

Preferred name
Altiratinib
IUPAC
1-N'-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
English name
Altiratinib
Molecular formula
C26H21F3N4O4
Molecular weight
510.47

Names & synonyms

Altiratinib1345847-93-9DCC-2701DP-5164T6787467131,1-Cyclopropanedicarboxamide, N-(4-((2-((cyclopropylcarbonyl)amino)-4-pyridinyl)oxy)-2,5-difluorophenyl)-N'-(4-fluorophenyl)-1,1-Cyclopropanedicarboxamide, N-[4-[[2-[(cyclopropylcarbonyl)amino]-4-pyridinyl]oxy]-2,5-difluorophenyl]-N'-(4-fluorophenyl)-1-N'-[4-[2-(cyclopropanecarbonylamino)pyridin-4-yl]oxy-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamidealtiratinibum1-N'-(4-(2-(cyclopropanecarbonylamino)pyridin-4-yl)oxy-2,5-difluorophenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamideRefChem:111601N-(4-((2-((CYCLOPROPYLCARBONYL)AMINO)PYRIDIN-4-YL)OXY)-2,5-DIFLUOROPHENYI)-N-(4-FLUOROPHENYL)CYCLOPROPANE-1,1-DICARBOXAMIDE
Show more names
CS-1690DP 5164Altiratinib, >98%Altiratinib(DCC2701)DCC2701 (Altiratinib)Altiratinib(DCC-22701)Altiratinib, 10 mM in DMSOAltiratinib(DCC2701,DP5164)
Altiratinib [USAN]MFCD28900672Altiratinib (USAN)N-(4-((2-((Cyclopropylcarbonyl)amino)pyridin-4-yl)oxy)-2,5-difluorophenyi)-N-(4- fluorophenyl)cyclopropane-1,1-dicarboxamideN-(4-((2-(cyclopropanecarboxamido)pyridin-4-yl)oxy)-2,5-difluorophenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.N-[4-[[2-[(Cyclopropylcarbonyl)amino]-4-pyridinyl]oxy]-2,5-difluorophenyl]-N'-(4-fluorophenyl)-1,1-cyclopropanedicarboxamideAltiratinib-D4DCC2701

Database identifiers

CAS
1345847-93-9
PubChem CID
54576299
ChEMBL
CHEMBL3545365
UNII
T678746713
Nikkaji
J3.784.984G

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
109 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
37

Physicochemical properties

Boiling point
763.5 · 763.5±60.0 °C(Predicted)
Density
1.557 · 1.557±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Store at -20°C
solubility
21.55 mg/mL · ≥21.55 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH
form
solid
pka
12.09 · 12.09±0.70(Predicted)

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Applications

UsesAltiratinib (DCC-2701) is a multi-targeted kinase inhibitor with IC50s of 2.7, 8, 9.2, 9.3, 0.85, 4.6, 0.83 nM for MET, TIE2, VEGFR2, FLT3, Trk1, Trk2, and Trk3 respectively.

Suppliers91 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
北京穹峰科技有限公司13552142508 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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