3947-65-7 (新黴素A,Neamine)

CAS号:
3947-65-7
中文名称:
新黴素A
英文名称:
Neamine
分子式:
C12H26N4O6
分子量:
322.358043193817
简介:
Neamine ,一种新霉素的降解产物,是一种广谱氨基糖苷类抗生素。Neamine 是靶向血管生成素 (angiogenin) 的抗血管生成剂。Neamine 具有有效的抗菌,抗肿瘤和神经保护活性。

新黴素A(3947-65-7)名称与标识符

名称

中文别名:
新霉胺;新霉素 EP标准品;新霉素A;新霉素A(新霉胺);新黴素A;
英文别名:
D-Streptamine,2-deoxy-4-O-(2,6-diamino-2,6-dideoxy-a-D-glucopyranosyl)-;(1'R,3'S,3S,5R,6R)-5-AMINO-2-AMINOMETHYL-6-(4,6-DIAMINO-2,3-DIHYDROXY-CYCLOHEXYLOXY)-TETRAHYDRO-PYRAN-3,4-DIOL;Neamine;NEAMINE, EP STANDARD;2-Deoxy-4-O-(2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl)-D-streptamine;dekamycinv;neamin;nebramycinx;Negamicin;neomycina;U-5214;(2R,3S,4R,5R,6R)-5-Amino-2-(aminomethyl)-6-(((1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl)oxy)tetrahydro-2H-pyran-3,4-diol;NS00011537;3947-65-7;4-18-00-07474 (Beilstein Handbook Reference);(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}oxane-3,4-diol;NEOMYCIN SULFATE IMPURITY A [EP IMPURITY];4-O-(2,6-Diamino-2,6-dideoxy-alpha-D-glucopyranosyl)-2-deoxy-D-streptamine;CS-0129171;TOBRAMYCIN IMPURITY C [EP IMPURITY];BRN 0026714;D-Streptamine, 2-deoxy-4-O-(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)-;D-Streptamine, 2-deoxy-4-O-(2,6-diamino-2,6-dideoxy-.alpha.-D-glucopyranosyl)-;O-2,6-DIAMINO-2,6-DIDEOXY-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-1,3-DIAMINO-1,2,3-TRIDEOXY-D-MYO-INOSITOL;Neomycin A;Nebramycin X;A824565;NEAMINE [MI];HY-N7449;SYJXFKPQNSDJLI-HKEUSBCWSA-N;(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxyoxane-3,4-diol;Q6984256;(2R,3S,4R,5R,6R)-5-Amino-2-(aminomethyl)-6-(((1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl)oxy)tetrahydro-2H-pyran-3,4-diol Hydrochloride;(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-((1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyloxy)tetrahydro-2H-pyran-3,4-diol;SCHEMBL219578;AKOS025311197;2-Desoxy-4-O-(2,6-diamino-2,6-didesoxy-alpha-D-glucopyranosyl)-D-streptamin;(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-3,4-DIOL;Dekamycin V;C01441;(1R,3S,3S,5R,6R)-5-Amino-2-aminomethyl-6-(4,6-diamino-2,3-dihydroxy-cyclohexyloxy)-tetrahydro-pyran-3,4-diol;DTXSID7023358;CHEBI:7489;ST 7;(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]tetrahydropyran-3,4-diol;Neamine Disulfate Salt;(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-((1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyloxy)-tetrahydro-2H-pyran-3,4-diol;UNII-5981U00LY0;(+)-NEAMINE;DB04808;2-Deoxy-4-O-(2,6-diamine-2,6-dideoxy-.alpha.-D-glucopyranosyl)-D-streptamine;5981U00LY0;XXX;CHEMBL427409;(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside;BDBM8580;MFCD00023857;2-Deoxy-4-O-(2,6-diamino-2,6-dideoxy-a-D-glucopyranosyl)-D-streptamine Disulfate Salt; Neomycin A Disulfate Salt;

标识符

MDL:
MFCD00023857
InChIKey:
SYJXFKPQNSDJLI-HKEUSBCWSA-N
Inchi:
1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
SMILES:
O([C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CN)O1)O)O)N)[C@H]1[C@@H]([C@H]([C@@H](C[C@@H]1N)N)O)O

新黴素A(3947-65-7)物化性质

实验特性

  • LogP : -2.31440
  • PSA : 203.46000
  • 折射率 : 1.6120 (estimate)
  • 沸点 : 460.98°C (rough estimate)
  • 熔点 : 238-249°C
  • 蒸气压 : 0.0±3.6 mmHg at 25°C
  • 闪点 : 303.3±30.1 °C
  • 颜色与性状 : Solid
  • 比旋光度 : +112.8° (c=1, H2O)
  • 密度 : 1.1885 (rough estimate)

计算特性

  • 精确分子量 : 322.18500
  • 氢键供体数量 : 8
  • 氢键受体数量 : 10
  • 可旋转化学键数量 : 3
  • 同位素质量 : 322.185235
  • 重原子数量 : 22
  • 复杂度 : 378
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 10
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -5.4
  • 拓扑分子极性表面积 : 204

新黴素A(3947-65-7)国际标准相关数据

EINECS:
215-766-3

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