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[ CAS No. 138529-46-1 ]

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2D
Chemical Structure| 138529-46-1
Chemical Structure| 138529-46-1
Structure of 138529-46-1 *Storage: {[proInfo.prStorage]}

Quality Control of [ 138529-46-1 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 138529-46-1 ]

SDS

Product Details of [ 138529-46-1 ]

CAS No. :138529-46-1MDL No. :MFCD09264745
Formula :C16H30N4O4SBoiling Point :-
Linear Structure Formula :-InChI Key :LWISPDYGRSGXME-YDHLFZDLSA-N
M.W :374.50Pubchem ID :11199678
Synonyms :

Computed Properties of [ 138529-46-1 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 138529-46-1 ]

Signal Word:WarningClassN/A
Precautionary Statements:P280-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 138529-46-1 ]

  • Downstream synthetic route of [ 138529-46-1 ]

[ 138529-46-1 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 30562-34-6 ]
  • [ 138529-46-1 ]
  • carbamic acid 13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-[2-(2-{2-[5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-ethoxy}-ethoxy)-ethylamino]-2-aza-bicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
In methanol; at 20℃; Compounds I in which Q1 is a biotinyl group can be synthesized by the reaction of a corresponding geldanamycin compound with a suitable biotinylated amine, as shown by procedure of Scheme 6. The following syntheses of compounds 5 and 6 are illustrative. Compound 5. To a solution of geldanamycin (56 mg, 0.1 mmol) in methanol (4 mL) at 20 C. was added Biotin-PEO-amine (Pierce, Rockford, Ill.; 0.2 mmol). The mixture was stirred at 20 C. until the geldanamycin was fully consumed as indicated by TLC. The crude product was purified either by flash chromatography or by reversed-phase HPLC, giving compound 5 as a purple solid. 13C NMR(CDCl3, 100 MHz) delta (relative to CDCl3 at 77.0 ppm) 12.4, 12.6, 12.8, 23.0, 25.5, 28.0, 28.1, 29.7, 32.3, 34.2, 34.8, 35.9, 39.2, 40.5, 45.2, 55.3, 56.7, 57.2, 60.1, 61.7, 68.6, 70.0, 70.2, 70.4, 72.6, 81.3, 81.4, 81.6, 108.5, 108.8, 126.4, 127.2, 132.8, 133.5, 134.7, 136.2, 141.5, 145.0, 156.3, 163.6, 168.5, 173.4, 180.5, 184.2. ESI TOF MS m/z 903.4555, calculated for C44H67N6O12S ([M+H]+) 903.4532.
  • 2
  • [ 138529-46-1 ]
  • 3-{{{{[(4S)-2,2-bis(trifluoromethyl)-5-oxo-1,3-dioxolan-4-yl]methyl}amino}carbonyl}oxy}propyl 4-benzoylbenzoate [ No CAS ]
  • (8S)-18-biotinamido-8-hydroxy-5,9-dioxo-4,13,16-trioxa-6,10-diazaoctadecyl 4-benzoylbenzoate [ No CAS ]
  • 3
  • [ 138529-46-1 ]
  • 1-{2-[4-(3-carboxy-propoxy)-phenyl]-ethyl}-3-formyl-5-methyl-2-pentyl-1H-indole-6-carboxylic acid methyl ester [ No CAS ]
  • 3-formyl-5-methyl-1-[2-(4-{3-[2-(2-{2-[5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-ethoxy}-ethoxy)-ethylcarbamoyl]-propoxy}-phenyl)-ethyl]-2-pentyl-1H-indole-6-carboxylic acid methyl ester [ No CAS ]
  • 4
  • [ 138529-46-1 ]
  • [ 676547-14-1 ]
  • 2-{{2-[2-(2-biotinamidoethoxy)ethoxy]ethyl}amino}ethyl 4-benzoylbenzoate [ No CAS ]
  • 5
  • [ 138529-46-1 ]
  • [ 486449-23-4 ]
  • 5'-HO-d(AGCTCCCAGGCTCAA)-3' [ No CAS ]
  • biotinamidoethoxyethoxyethyl 4-[5pp-d(AGCTCCCAGGCTCAA)-3]]-pentanoic amide [ No CAS ]
  • 6
  • [ 14341-86-7 ]
  • [ 611-95-0 ]
  • [ 138529-46-1 ]
  • Boc-Dap(Fmoc)-Gly-S-PEGA [ No CAS ]
  • [ 505077-12-3 ]
  • 7
  • [ 108-30-5 ]
  • [ 611-95-0 ]
  • [ 138529-46-1 ]
  • Boc-Dap(Fmoc)-Gly-S-PEGA [ No CAS ]
  • [ 505077-11-2 ]
  • 8
  • [ 138529-46-1 ]
  • {(3aR,8bS)-3-[1-((R)-4-Methyl-5-oxo-2,5-dihydro-furan-2-yloxy)-meth-(E)-ylidene]-2-oxo-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-7-yl}-carbamic acid 4-nitro-phenyl ester [ No CAS ]
  • N1-2-[2-(2-[(3aR,8bS)-3-((E)-1-[(2R)-4-methyl-5-oxo-2,5-dihydro-2-furanyl]oxymethylidene)-2-oxo-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-7-yl]aminocarbonylaminoethoxy)ethoxy]ethyl-5-(2-oxoperhydrothieno[3,4-d]imidazol-4-yl)pentanamide [ No CAS ]
  • 9
  • [ 138529-46-1 ]
  • (2-oxo-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-7-yl)-carbamic acid 4-nitro-phenyl ester [ No CAS ]
  • N1-2-[2-(2-[(2-oxo-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-7-yl)aminocarbonylamino]ethoxy)ethoxyethyl]-5-(2-oxoperhydrothieno[3,4-d]imidazol-4-yl)pentanamide [ No CAS ]
Historical Records

Related Functional Groups of
[ 138529-46-1 ]

Amines

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Amides

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Ethers

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Related Parent Nucleus of
[ 138529-46-1 ]

Other Aliphatic Heterocycles

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