Cas no 17650-86-1 (Benzamide,4-[[(2S)-2-amino-3-hydroxy-2-methyl-1-oxopropyl]amino]-N-[1-[(2R,5S,6R)-5-[[4,6-dideoxy-4-(dimethylamino)-a-D-glucopyranosyl]oxy]tetrahydro-6-methyl-2H-pyran-2-yl]-1,2-dihydro-2-oxo-4-pyrimidinyl]-)

Benzamide,4-[[(2S)-2-amino-3-hydroxy-2-methyl-1-oxopropyl]amino]-N-[1-[(2R,5S,6R)-5-[[4,6-dideoxy-4-(dimethylamino)-a-D-glucopyranosyl]oxy]tetrahydro-6-methyl-2H-pyran-2-yl]-1,2-dihydro-2-oxo-4-pyrimidinyl]- structure
17650-86-1 structure
Product Name:Benzamide,4-[[(2S)-2-amino-3-hydroxy-2-methyl-1-oxopropyl]amino]-N-[1-[(2R,5S,6R)-5-[[4,6-dideoxy-4-(dimethylamino)-a-D-glucopyranosyl]oxy]tetrahydro-6-methyl-2H-pyran-2-yl]-1,2-dihydro-2-oxo-4-pyrimidinyl]-
CAS No:17650-86-1
MF:C29H42N6O9
MW:618.678587436676
CID:153327
PubChem ID:28675
Update Time:2025-04-19

Benzamide,4-[[(2S)-2-amino-3-hydroxy-2-methyl-1-oxopropyl]amino]-N-[1-[(2R,5S,6R)-5-[[4,6-dideoxy-4-(dimethylamino)-a-D-glucopyranosyl]oxy]tetrahydro-6-methyl-2H-pyran-2-yl]-1,2-dihydro-2-oxo-4-pyrimidinyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzamide,4-[[(2S)-2-amino-3-hydroxy-2-methyl-1-oxopropyl]amino]-N-[1-[(2R,5S,6R)-5-[[4,6-dideoxy-4-(dimethylamino)-a-D-glucopyranosyl]oxy]tetrahydro-6-methyl-2H-pyran-2-yl]-1,2-dihydro-2-oxo-4-pyrimidinyl]-
    • AMICETIN
    • Amicetin-A
    • Benzamide,4-[[(2S)-2-amino-3-hydroxy-2-methyl-1-oxopropyl]amino]-N-[1-[(2R,5S,6R)-5-[[4,6-dideoxy-4-(dimethylamino)-a-D-gluco
    • Benzamide,4-[[(2S)-2-amino-3-hydroxy-2-methyl-1-oxopropyl]amino]-N-[1-[(2R,5S,6R)-5-[[4,6-dideoxy-4-(dimethylamino)-a-D-glucopyranosyl]oxy]tetrahydro-6-methyl-2H-pyran-2-yl]-1,2-dihydro-2-oxo-4-pyrimi
    • N-{1-[(2R,5S,6R)-5-{[4,6-dideoxy-4-(dimethylamino)-alpha-D-glucopyranosyl]oxy}-6-methyloxan-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}-4-[(2-methyl-L-seryl)amino]benzamide
    • Sacromycin (VAN)
    • 0909X15C85
    • AI3-50806
    • CHEBI:199652
    • Allomycin (VAN)
    • UNII-0909X15C85
    • NS00011766
    • NSC-5340
    • HY-120383
    • NSC 5340
    • Hydracrylanilide, 2-amino-4'-((1,2-dihydro-2-oxo-1-(2,3,6-trideoxy-4-O-(4,6-dideoxy-4-(dimethylamino)-alpha-D-glucopyranosyl)-beta-D-erythro-hexopyranosyl)-4-pyrimidinyl)carbamoyl)-2-methyl- (VAN)
    • Allomycin
    • SCHEMBL692021
    • 4-[[(2S)-2-amino-3-hydroxy-2-methylpropanoyl]amino]-N-[1-[(2R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]benzamide
    • BRN 0102092
    • Amicetin (VAN)
    • U-4761
    • CS-0077734
    • D-13
    • Benzamide, 4-((2-amino-3-hydroxy-2-methyl-1-oxopropyl)amino)-N-(1-(5-((4,6-dideoxy-4-(dimethylamino)-alpha-D-glucopyranosyl)oxy)-tet
    • DTXSID801015583
    • BENZAMIDE, 4-(((2S)-2-AMINO-3-HYDROXY-2-METHYL-1-OXOPROPYL)AMINO)-N-(1-((2R,5S,6R)-5-((4,6-DIDEOXY-4-(DIMETHYLAMINO)-.ALPHA.-D-GLUCOPYRANOSYL)OXY)TETRAHYDRO-6-METHYL-2H-PYRAN-2-YL)-1,2-DIHYDRO-2-OXO-4-PYRIMIDINYL)-
    • AMICETIN [MI]
    • 17650-86-1
    • Q27236433
    • 4-[(2-Amino-3-hydroxy-2-methylpropanoyl)amino]-N-[1-(5-([4,6-dideoxy-4-(dimethylamino)hexopyranosyl]oxy)-6-methyltetrahydro-2H-pyran-2-yl)-2-oxo-1,2-dihydro-4-pyrimidinyl]benzamide #
    • Sacromycin
    • Benzamide,2-dihydro-2-oxo-1-[2,3,6-trideoxy-4-O-[4,6-dideoxy-4-(dimethylamino)-.alpha.-D-glucopyranosyl]-.beta.-D-erythro-hexopyranosyl]-4-pyrimidinyl]-, (S)-
    • NSC5340
    • Benzamide, 4-((2-amino-3-hydroxy-2-methyl-1-oxopropyl)amino)-N-(1-(5-((4,6-dideoxy-4-(dimethylamino)-.alpha.-D-glucopyranosyl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)-1,2-dihydro-2-oxo-4-pyrimidinyl)-, (2R-(2.alpha.(S*),5.beta.,6.alpha.))-
    • WLN: T6OTJ B1 CN1&1 DQ EQ FO- CT6OTJ B1 F- AT6NVNJ DMVR DMVXZ1&1Q
    • N-[1-(5-{[4,6-Dideoxy-4-(dimethylamino)hexopyranosyl]oxy}-6-methyltetrahydro-2H-pyran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl]-4-[(2-methylseryl)amino]benzamide
    • SCHEMBL692022
    • 4-[(2-Amino-3-hydroxy-2-methylpropanoyl)amino]-N-[1-[(2R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]benzamide
    • Hydracrylanilide, 2-amino-4'-((1,2-dihydro-2-oxo-1-(2,3,6-trideoxy-4-O-(4,6-dideoxy-4-(dimethylamino)-.alpha.-D-glucopyranosyl)-.beta.-D-erythro-hexopyranosyl)-4-pyrimidinyl)carbamoyl)-2-methyl-
    • Benzamide, 4-[[(2S)-2-amino-3-hydroxy-2-methyl-1-oxopropyl]amino]-N-[1-[(2R,5S,6R)-5-[[4,6-dideoxy-4-(dimethylamino)-.alpha.-D-glucopyranosyl]oxy]tetrahydro-6-methyl-2H-pyran-2-yl]-1,2-dihydro-2-oxo-4-pyrimidinyl]-
    • 4-[(2-amino-3-hydroxy-2-methyl-propanoyl)amino]-N-[1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]-2-oxo-pyrimidin-4-yl]benzamide
    • HDNVYHWHCVTDIV-UHFFFAOYSA-N
    • 4-[(2-amino-3-hydroxy-2-methylpropanoyl)amino]-N-[1-[5-[5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]benzamide
    • Hydracrylanilide,2-dihydro-2-oxo-1-[2,3,6-trideoxy-4-O-[4,6-dideoxy-4-(dimethylamino)-.alpha.-D-glucopyranosyl]-.beta.-D-erythro-hexopyranosyl]-4-pyrimidinyl]carbamoyl]-2-methyl-
    • Benzamide,6-dideoxy-4-(dimethylamino)-.alpha.-D-glucopyranosyl]oxy]tetrahydro-6-methyl-2H-pyran-2-yl]-1,2-dihydro-2-oxo-4-pyrimidinyl]-, [2R-[2.alpha.(S*),5.beta.,6.alpha.]]-
    • Inchi： 1S/C29H42N6O9/c1-15-19(44-26-24(38)23(37)22(34(4)5)16(2)43-26)10-11-21(42-15)35-13-12-20(33-28(35)41)32-25(39)17-6-8-18(9-7-17)31-27(40)29(3,30)14-36/h6-9,12-13,15-16,19,21-24,26,36-38H,10-11,14,30H2,1-5H3,(H,31,40)(H,32,33,39,41)/t15-,16-,19+,21-,22-,23+,24-,26-,29+/m1/s1
    • InChI Key： HDNVYHWHCVTDIV-ZENIWSRCSA-N
    • SMILES： O1[C@H](C)[C@H]([C@@H]([C@H]([C@H]1O[C@@H]1[C@@H](C)O[C@H](CC1)N1C(N=C(C=C1)NC(C1C=CC(=CC=1)NC([C@](C)(CO)N)=O)=O)=O)O)O)N(C)C

Computed Properties

  • Exact Mass: 618.30100
  • Monoisotopic Mass: 618.301
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 9
  • Complexity: 1110
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 9
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 209A^2
  • XLogP3: -1

Experimental Properties

  • Density: 1.2721 (rough estimate)
  • Melting Point: 244-245°
  • Boiling Point: 660.6°C (rough estimate)
  • Refractive Index: 1.6400 (estimate)
  • PSA: 210.73000
  • LogP: 0.46960
  • pka: pKa = 10.4, 7.0(at 25℃)
  • Specific Rotation: D24 +116.5° (c = 0.5 in 0.1N HCl)

Benzamide,4-[[(2S)-2-amino-3-hydroxy-2-methyl-1-oxopropyl]amino]-N-[1-[(2R,5S,6R)-5-[[4,6-dideoxy-4-(dimethylamino)-a-D-glucopyranosyl]oxy]tetrahydro-6-methyl-2H-pyran-2-yl]-1,2-dihydro-2-oxo-4-pyrimidinyl]- Security Information

  • Toxicity：LD50 of citrate complex, pH 6 (mg/kg) in mice: ~90 i.v., 600-700 s.c.; in rats: ~200 i.v., ~600 s.c. (DeBoer)
  • Storage Condition：Warehouse ventilation and low temperature drying

Benzamide,4-[[(2S)-2-amino-3-hydroxy-2-methyl-1-oxopropyl]amino]-N-[1-[(2R,5S,6R)-5-[[4,6-dideoxy-4-(dimethylamino)-a-D-glucopyranosyl]oxy]tetrahydro-6-methyl-2H-pyran-2-yl]-1,2-dihydro-2-oxo-4-pyrimidinyl]- Suppliers

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(CAS:17650-86-1)Amicetin-A
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Benzamide,4-[[(2S)-2-amino-3-hydroxy-2-methyl-1-oxopropyl]amino]-N-[1-[(2R,5S,6R)-5-[[4,6-dideoxy-4-(dimethylamino)-a-D-glucopyranosyl]oxy]tetrahydro-6-methyl-2H-pyran-2-yl]-1,2-dihydro-2-oxo-4-pyrimidinyl]- Related Literature

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17650-86-1 (Benzamide,4-[[(2S)-2-amino-3-hydroxy-2-methyl-1-oxopropyl]amino]-N-[1-[(2R,5S,6R)-5-[[4,6-dideoxy-4-(dimethylamino)-a-D-glucopyranosyl]oxy]tetrahydro-6-methyl-2H-pyran-2-yl]-1,2-dihydro-2-oxo-4-pyrimidinyl]-) Related Products

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