曲西立滨 | 35943-35-2
中文名称:
曲西立滨
英文名称:
Triciribine
CAS No.:
35943-35-2
分子式:
C1 3 H1 6 N6 O4
分子量:
320.30394
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:曲西立滨结构式
名称和标识符
MDL
MFCD00932413
InChIKey
HOGVTUZUJGHKPL-HTVVRFAVSA-N
Inchi
1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8-,9-,13-/m1/s1
SMILES
OC[C@H]1OC([C@H](O)[C@@H]1O)N2C3=C(C(C(N)=NN4C)=C2)C4=NC=N3
别名信息
- 中文别名 -
曲西立滨
1,5-二氢-5-甲基-1-beta-D-呋喃核糖基-1,4,5,6,8-五氮杂苊-3-胺
Tricirbine磷酸盐
Triciribine 抑制剂
曲西瑞宾
- 英文别名 -
Triciribine
1,5-Dihydro-5-methyl-1-beta-D-ribofuranosyl-1,4,5,6,8-pentaazaacenaphthylen-3-amine
API-2
Tricirbine
Triciribine (API-2,NSC 154020, HSCI1_000386,TCN,Tricyclic Nucleoside )
1,5-Dihydro-5-methyl-1-β-D-ribofuranosyl-1,4,5,6,8-pentaazaacenaphthylen-3-amine
API-2 Akt
NSC 154020
PKB Signaling Inhibitor-2 Inhibitor V
TCN
Triciribinum [INN-Latin]
1,4,5,6,8-Pentaazaacenaphthylen-3-amine, 1,5-dihydro-5-methyl-1-beta-D-ribofuranosyl-
2421HMY9N6
Tox21_111192
1,5-Dihydro-5-methyl-1-?-D-ribofuranosyl-1,4,5,6,8-pentaazaacenaphthylen-3-amine
Tox21_111192_1
Pentaazacentopthylene
AKOS024456958
NSC-154020
CCG-100678
CS-0968
Triciribinum
BDBM50369528
SMR002530325
API-2
NSC 154020
TCN
SRI-10809-03
BCPP000034
Akt/PKB Signaling Inhibitor-2
Inhibitor V
TRICIRIBINE [WHO-DD]
EX-A415
NCGC00092314-02
BRD-K80431395-001-01-6
Q25326616
CHEBI:65310
DB12405
NS00069245
CHEMBL331237
BRD-K80431395-001-09-9
NSC-800957
SCHEMBL61268
NSC800957
(2R,3R,4S,5R)-2-(5-amino-7-methyl-2,6,7,9,11-pentazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CAS-35943-35-2
Triciribine hydrate
DTXCID4025743
Triciribina [INN-Spanish]
NCGC00092314-04
(2R,3R,4S,5R)-2-(3-amino-5-methyl-1,4,5,6,8-pentaazaacenaphthylen-1(5H)-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
5-methyl-1-(beta-D-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine
DTXSID6045743
1,4,5,6,8-Pentaazaacenaphthylene, 3-amino-1,5-dihydro-5-methyl-1-beta-D-ribofuranosyl-
s1117
1,4,5,6,8-Pentaazaacennaphthylen-3-amine, 1,5-dihydro-5-methyl-1-.beta.-D-ribofuranosyl-
HMS3677I03
NCGC00092314-06
MFCD16879015
3-AMINO-1,5-DIHYDRO-5-METHYL-1-.BETA.-D-RIBOFURANOSYL-1,4,5,6,8-PENTAAZAACENAPHTHYLENE
UNII-2421HMY9N6
3-Amino-1,5-dihydro-5-methyl-1-beta-D-ribofuranosyl-1,4,5,6,8-pentaazaacenaphthylene
BiomolKI2_000078
35943-35-2
1,4,5,6,8-Pentaazaacennaphthylen-3-amine, 1,5-dihydro-5-methyl-1-beta-D-ribofuranosyl-
AC-32686
Tricyclic nucleoside
MLS006011145
HY-15457
BRN 1171593
NCGC00092314-01
Triciribine [INN]
API-2
Triciribine
HMS3413I03
Triciribina
物化性质
实验特性
LogP
-0.90710
PSA
144.47000
折射率
1.7000 (estimate)
沸点
459.21°C (rough estimate)
熔点
N/A℃
蒸气压
0.0±2.4 mmHg at 25°C
闪点
388.3±35.7 °C
溶解度
DMSO: >10mg/mL
密度
1.2633 (rough estimate)
计算特性
精确分子量
320.12300
氢键供体数量
5
氢键受体数量
10
可旋转化学键数量
2
同位素质量
320.123
重原子数量
23
复杂度
507
同位素原子数量
0
确定原子立构中心数量
4
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)
-1.6
拓扑分子极性表面积
142A^2
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