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Introduction

Methyl pseudolarate B, a natural diterpenoid, is a protein tyrosine phosphatase 1B (PTP1B) (phosphatase) inhibitor with an IC50 value of 10.9 μ M

Names and Identifiers

  • Methylpseudolarate B
  • Methyl (1R,7S,8S,9R)-7-acetoxy-9-[(1E,3E)-5-methoxy-4-methyl-5-oxo-1,3-pentadien-1-yl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0<sup>1,7</sup>]tridec-3-ene-4-carboxylate
  • [ "" ]
  • Methyl pseudolarate B
  • AKOS040762054
  • AKOS040762054
  • CS-0023749
  • CS-0023749
  • DTXSID801314937
  • DTXSID801314937
  • methyl (1R,7S,8S,9R)-7-acetyloxy-9-[(1E,3E)-5-methoxy-4-methyl-5-oxopenta-1,3-dienyl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-ene-4-carboxylate
  • methyl (1R,7S,8S,9R)-7-acetyloxy-9-[(1E,3E)-5-methoxy-4-methyl-5-oxopenta-1,3-dienyl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-ene-4-carboxylate
  • HY-N3267
  • HY-N3267
  • CHEMBL513582
  • CHEMBL513582
  • methyl acetoxy-[(1E,3E)-5-methoxy-4-methyl-5-oxo-penta-1,3-dienyl]-methyl-oxo-[?]carboxylate
  • methyl acetoxy-[(1E,3E)-5-methoxy-4-methyl-5-oxo-penta-1,3-dienyl]-methyl-oxo-[?]carboxylate
  • FS-9073
  • FS-9073
  • Methyl (2E,4E)-5-[(7S,1R,8R)-7-acetyloxy-4-(methoxycarbonyl)-9-methyl-10-oxa-11-oxotricyclo[6.3.2.0<1,7>]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoate
  • Methyl (2E,4E)-5-[(7S,1R,8R)-7-acetyloxy-4-(methoxycarbonyl)-9-methyl-10-oxa-11-oxotricyclo[6.3.2.0<1,7>]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoate
  • 82508-34-7
  • 82508-34-7
  • DA-65409
  • DA-65409
  • DA-65409
  • InChIKey:DXNRJQIZAXOHQJ-KYNXZXPVSA-N
  • Inchi:InChI=1S/C24H30O8/c1-15(19(26)29-4)7-6-11-22(3)18-10-13-23(21(28)32-22)12-8-17(20(27)30-5)9-14-24(18,23)31-16(2)25/h6-8,11,18H,9-10,12-14H2,1-5H3/b11-6+,15-7+/t18-,22+,23+,24-/m0/s1
  • SMILES:C/C(=C\C=C\[C@]1(C)[C@@H]2CC[C@]3(CC=C(CC[C@]23OC(=O)C)C(=O)OC)C(=O)O1)/C(=O)OC

Chemical and Physical Properties

Computed Properties

  • Exact Mass: 446.19400
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Rotatable Bond Count: 8
  • Monoisotopic Mass: 446.194
  • Heavy Atom Count: 32
  • Complexity: 928
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 2
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 2.7
  • Topological Polar Surface Area: 105A^2

Experimental Properties

  • LogP: 2.95900
  • PSA: 105.20000
  • Boiling Point: 571.0±50.0 °C at 760 mmHg
  • Vapor Pressure: 0.0±1.6 mmHg at 25°C
  • Flash Point: 244.9±30.2 °C
  • Color/Form: Oil
  • Density: 1.2±0.1 g/cm3
Security Information
  • Safety Instruction:H303+H313+H333
  • Hazard Statement:H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
  • Warning Statement:P264+P280+P305+P351+P338+P337+P313
  • Storage Condition:Store at 4 ℃, better at -4 ℃

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No.PurityStockSpecificationPriceupdate timeoperate
AH54366-5mg98.0%2 weeks5mg$285.0019 Apr. 2024
AH54366-50mg≥98%2 weeks50mg$1344.0019 Apr. 2024
AH54366-100mg≥98%2 weeks100mg$2210.0019 Apr. 2024
AH54366-200mg≥98%2 weeks200mg$3677.0019 Apr. 2024
AH54366-500mg≥98%2 weeks500mg$7344.0019 Apr. 2024
AH54366-20mg≥98%2 weeks20mg$677.0019 Apr. 2024
Brand:targetmolSupplier:TargetMol Chemicals
No.PurityStockSpecificationPriceupdate timeoperate
TN4554-5mg98%待询5mg¥ 157015 Sep. 2023
TN4554-1 mL * 10 mM (in DMSO)98%待询1 mL * 10 mM (in DMSO)¥ 167015 Sep. 2023
TN4554-5 mg98%待询5mg¥ 1,57010 Jul. 2023
Brand:topscienceSupplier:上海陶术生物科技有限公司
No.PurityStockSpecificationPriceupdate timeoperate
TN4554-1 mg待询1mg¥1635.0026 Apr. 2022
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M77990-5mg现货5mg¥3200.008 Sep. 2021
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