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Tubastatin A Trifluoroacetic Acid Salt | 1239262-52-2
1239262-52-2

Product name:Tubastatin A Trifluoroacetic Acid Salt

CAS No:1239262-52-2
MF:C20H21N3O2
MW:335.39964
MDL:MFCD20488052
CID:1011178
PubChem ID:50898504
Names and Identifiers
  • Tubastatin A
  • Tubastatin A Trifluoroacetate
  • Tubastatin A Trifluoroacetic Acid Salt
  • N-Hydroxy-4-((2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5(2H)-yl)methyl)benzamide 2,2,2-trifluoroacetate
  • Tubastain A
  • TUBASTANTIN A
  • Tubastatin A (trifluoroacetate salt)
  • Tubastatin A Trifluo
  • [4-({2-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-5-yl}methyl)phenyl]formamido 2,2,2-trifluoroacetate
  • N-hydroxy-4-({2-methyl-1H,3H,4H-pyrido[4,3-b]indol-5-yl}methyl)benzamide hydrochloride
  • N-Hydroxy-4-[(2-methyl-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5 -yl)methyl]benzamide
  • TRIETHYLENETHIOPHOSPHORAMIDE,WHITE SOLID
  • TUBASTATIN A HYDROCHLORIDE
  • TUBASTATIN A_HCL
  • TUBASTSTINA HCL
  • N-Hydroxy-4-[(1,2,3,4-tetrahydro-2-methyl-5H-pyrido[4,3-b]indol-5-yl)methyl]benzamide 2,2,2-trifluoroacetate
  • N-hydroxy-4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide
  • 2,2,2-trifluoroacetic acid
  • N-Hydroxy-4-[(1,2,3,4-tetrahydro-2-methyl-5H-pyrido[4,3-b]indol-5-yl)methyl]benzamide 2,2,2-Trifluoroacetate
  • N-Hydroxy-4-(2-methyl-1,2,3,4-tetrahydro-pyrido[4,3-b]indol-5-ylmethyl)benzamide hydrochloried
  • N-Hydroxy-4-(2-methyl-1,2,3,4-tetrahydro-pyrido[4,3-b]indol-5-ylmethyl)benzamide TFA salt
  • Tubastatin A TFA
  • J-004997
  • Tubastatin TFA salt
  • Benzamide, N-hydroxy-4-[(1,2,3,4-tetrahydro-2-methyl-5H-pyrido[4,3-b]indol-5-yl)methyl]-, 2,2,2-trifluoroacetate (1:1)
  • 1239262-52-2
  • trifluoroacetic acid
  • tubastatin A
  • HY-13271B
  • A890636
  • Tubastatin A (TFA)
  • D82920
  • AKOS024465038
  • CS-0007786
  • AS-79588
  • GLXC-10161
  • S0709
  • MFCD24873137
  • N-Hydroxy-4-((2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5(2H)-yl)methyl)benzamide2,2,2-trifluoroacetate
  • DB-352571
  • MDL:MFCD20488052
  • InChIKey:AVAOVICSJJIYRZ-UHFFFAOYSA-N
  • Inchi:InChI=1S/C20H21N3O2.C2HF3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25;3-2(4,5)1(6)7/h2-9,25H,10-13H2,1H3,(H,21,24);(H,6,7)
  • SMILES:O=C(NO)C1=CC=C(CN2C3=C(CN(C)CC3)C4=C2C=CC=C4)C=C1.O=C(O)C(F)(F)F
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 449.4g/mol
  • Surface Charge: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 8
  • Rotatable Bond Count: 3
  • Monoisotopic Mass: 449.156241g/mol
  • Monoisotopic Mass: 449.156241g/mol
  • Topological Polar Surface Area: 94.8Ų
  • Heavy Atom Count: 32
  • Complexity: 561
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 2

Experimental Properties

  • LogP: 3.75860
  • PSA: 94.80000
  • Density: 1.3±0.1 g/cm3
Security Information
  • Safety Instruction:H303+H313+H333
  • Hazard Statement:H303+H313+H333
  • Warning Statement:P264+P280+P305+P351+P338+P337+P313
  • Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
  • Signal Word:warning
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