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Harringtonine | 26833-85-2

Product name:Harringtonine

CAS No:26833-85-2
MF:C28H37NO9
MW:531.5947
CID:267872
PubChem ID:3567
Introduction
Harringtonine is a natural Cephalotaxus alkaloid, which can inhibit protein synthesis Harringtonine has anti chikungunya (CHIKV) virus activity with an EC50 of 0.24 μ M
Names and Identifiers
  • Harringtonine
  • Cephalotaxine,4-methyl (2R)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester) (9CI)
  • Cephalotaxine, 4-methyl 2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate(ester), [3(R)]-
  • 2'R-Harringtonine
  • Harringtonin
  • NSC 124147
  • Cephalotaxine,3-[4-methyl (2R)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate]
  • Harringtonine (8CI)
  • HARRINGTONINE(P) - [Discontinued] PrintBack
  • AK546639
  • CID 134694858
  • Alkaloid C from cephalotaxus
  • Cephalotaxine, 4-methyl (2R)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester)
  • O1-(methoxy[?]yl) O4-methyl (2S)-2-hydroxy-2-(3-hydroxy-3-methyl-butyl)butanedioate
  • SCHEMBL138806
  • harringtonine
  • (R)-1-((11bS,12S,14aR)-13-Methoxy-2,3,5,6,11b,12-hexahydro-1H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]cyclopenta[b]pyrrolo[1,2-a]azepin-12-yl) 4-methyl 2-hydroxy-2-(3-hydroxy-3-methylbutyl)succinate
  • HARRINGTONINE [WHO-DD]
  • Z2967326050
  • TRANS-2-BUTENE-1,4-DICARBOXYLICACID
  • NSC124147
  • CS-3909
  • DTXSID501016801
  • Cephalotaxine, 4-methyl-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester), (3(R))-
  • AS-56357
  • CHEMBL433257
  • 26833-85-2
  • 1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate
  • Cephalotaxine, 4-methyl 2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester)
  • HY-N0862
  • CCG-269921
  • AKOS030526125
  • MCPA-L-carnitine-d9 Chloride (Mixture of Diastereomers)
  • NSC-124147
  • 1-((1S,3aR,14bS)-2-methoxy-1,5,6,8,9,14b-hexahydro-4H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]cyclopenta[b]pyrrolo[1,2-a]azepin-1-yl) 4-methyl (R)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)succinate
  • BDBM50480315
  • s9063
  • CHEBI:5626
  • NCI60_000568
  • 25302-09-4
  • Q27106830
  • ZJ-H
  • Cephalotaxine, 4-methyl-, 2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester), (3(R))-
  • harringtonine(8ci)
  • UNII-088662H40F
  • 088662H40F
  • A877127
  • AC-20253
  • AKOS015965555
  • (9R)-O~3~-[(2S)-2,5-dihydroxy-2-(2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxine
  • AC-34766
  • Q63408611
  • Alkaloid C from cephalotaxus
  • NSC124147
  • NSC 124147
  • NSC-124147
  • 1-O-(4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl) 4-O-methyl 2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate
  • AKOS030254757
  • CHEMBL175608
  • BCP04090
  • Cephalotaxine, 4-methyl 2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate (ester), [3(R)]-
  • HAVJATCHLFRDHY-UHFFFAOYSA-N
  • InChIKey:HAVJATCHLFRDHY-JZTSUELASA-N
  • Inchi:1S/C28H37NO9/c1-26(2,32)8-9-28(33,15-22(30)35-4)25(31)38-24-21(34-3)14-27-7-5-10-29(27)11-6-17-12-19-20(37-16-36-19)13-18(17)23(24)27/h12-14,23-24,32-33H,5-11,15-16H2,1-4H3/t23-,24+,27-,28-/m0/s1
  • SMILES:O(C([C@@](C([H])([H])C(=O)OC([H])([H])[H])(C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])O[H])O[H])=O)[C@]1([H])C(=C([H])[C@]23C([H])([H])C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])C2=C([H])C4=C(C([H])=C2[C@]31[H])OC([H])([H])O4)OC([H])([H])[H]
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 531.6g/mol
  • Surface Charge: 0
  • XLogP3: 0.5
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 10
  • Rotatable Bond Count: 10
  • Monoisotopic Mass: 531.246832g/mol
  • Monoisotopic Mass: 531.246832g/mol
  • Topological Polar Surface Area: 124Ų
  • Heavy Atom Count: 38
  • Complexity: 953
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • Topological Polar Surface Area: 124A^2
  • Isotope Atom Count: 0
  • Surface Charge: 0

Experimental Properties

  • LogP: 2.12850
  • PSA: 123.99000
  • Refractive Index: 1.609
  • Boiling Point: 679.4ºC at 760 mmHg
  • Melting Point: 73-75ºC
  • Flash Point: 364.7ºC
  • Solubility: 生物体外In Vitro:DMSO溶解度≥ 100 mg/mL(188.11 mM)*"≥" means soluble可溶, but saturation unknown溶解度未知.
  • Color/Form: White solid
  • Solubility: Soluble in methanol, ethanol or chloroform, slightly soluble in water and ether
  • Density: 1.35 g/cm3
  • Vapor Pressure: 2.17E-19mmHg at 25°C
  • Flash Point: 364.7ºC
Security Information
  • Safety Instruction:H303 may be harmful by ingestion +h313 may be harmful by skin contact +h333 may be harmful by inhalation
  • Packing Group:II
  • Hazard Level:6.1(a)
  • Hazardous Material transportation number:UN 1544
  • Hazard Statement:H303 may be harmful by ingestion +h313 may be harmful by skin contact +h333 may be harmful by inhalation
  • Warning Statement:P264Thoroughly clean after treatment+P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask+P305If it enters the eyes+P351Rinse carefully with water for a few minutes+P338Remove the contact lens(If any)And easy to operate,Continue flushing+P337If eye irritation persists+P313Obtain medical advice/care
  • Storage Condition:Powder -20°C 3 years   4°C 2 years In solvent -80°C 6 months   -20°C 1 month
  • PackingGroup:II
  • Signal Word:warning
  • HazardClass:6.1(a)
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