Alternatived Products of [ 10284-63-6 ]
Product Details of [ 10284-63-6 ]
CAS No. : 10284-63-6
MDL No. : MFCD00216659
Formula :
C7 H14 O6
Boiling Point :
-
Linear Structure Formula : -
InChI Key : DSCFFEYYQKSRSV-FEPQRWDDSA-N
M.W :
194.18
Pubchem ID : 164619
Synonyms :
3-O-Methyl-D-chiro-inositol;3-O-methyl-Chiroinositol;Inzitol;D-(+)-Pinitol;Pinitol;Methylinositol
Calculated chemistry of [ 10284-63-6 ]
Physicochemical Properties
Num. heavy atoms :
13
Num. arom. heavy atoms :
0
Fraction Csp3 :
1.0
Num. rotatable bonds :
1
Num. H-bond acceptors :
6.0
Num. H-bond donors :
5.0
Molar Refractivity :
40.54
TPSA :
110.38 Ų
Pharmacokinetics
GI absorption :
Low
BBB permeant :
No
P-gp substrate :
Yes
CYP1A2 inhibitor :
No
CYP2C19 inhibitor :
No
CYP2C9 inhibitor :
No
CYP2D6 inhibitor :
No
CYP3A4 inhibitor :
No
Log Kp (skin permeation) :
-9.74 cm/s
Lipophilicity
Log Po/w (iLOGP) :
0.55
Log Po/w (XLOGP3) :
-3.17
Log Po/w (WLOGP) :
-3.18
Log Po/w (MLOGP) :
-2.81
Log Po/w (SILICOS-IT) :
-2.5
Consensus Log Po/w :
-2.22
Druglikeness
Lipinski :
0.0
Ghose :
None
Veber :
0.0
Egan :
0.0
Muegge :
2.0
Bioavailability Score :
0.55
Water Solubility
Log S (ESOL) :
1.02
Solubility :
2030.0 mg/ml ; 10.5 mol/l
Class :
Highly soluble
Log S (Ali) :
1.42
Solubility :
5110.0 mg/ml ; 26.3 mol/l
Class :
Highly soluble
Log S (SILICOS-IT) :
2.58
Solubility :
73700.0 mg/ml ; 379.0 mol/l
Class :
Soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
0.0 alert
Leadlikeness :
1.0
Synthetic accessibility :
3.76
Application In Synthesis of [ 10284-63-6 ]
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Downstream synthetic route of [ 10284-63-6 ]
1
[ 10284-63-6 ]
[ 3559-01-1 ]
2
[ 10284-63-6 ]
[ 57819-56-4 ]
3
[ 67-56-1 ]
[ 125164-85-4 ]
[ 10284-63-6 ]
4
[ 75-77-4 ]
[ 10284-63-6 ]
[ 14199-75-8 ]
5
[ 116-11-0 ]
[ 10284-63-6 ]
[ 57819-56-4 ]
6
[ 87-89-8 ]
[ 488-54-0 ]
[ 6090-97-7 ]
[ 10284-63-6 ]
D-galacturonic acid
[ No CAS ]
7
[ 6090-97-7 ]
[ 87-89-8 ]
[ 488-54-0 ]
[ 10284-63-6 ]
D-galacturonic acid
[ No CAS ]
8
[ 10284-63-6 ]
[ 127002-20-4 ]
9
[ 10284-63-6 ]
deruterised chiro inositol
[ No CAS ]
10
[ 130792-46-0 ]
[ 10284-63-6 ]
11
[ 10284-63-6 ]
[ 98-88-4 ]
[ 73803-10-8 ]
12
[ 75589-40-1 ]
[ 59-23-4 ]
[ 10284-63-6 ]
13
[ 124647-09-2 ]
[ 10284-63-6 ]
14
[ 10284-63-6 ]
[ 77-76-9 ]
[ 58706-05-1 ]
[ 57819-56-4 ]
15
[ 10284-63-6 ]
[ 1663-61-2 ]
[ 78077-12-0 ]
16
[ 10284-63-6 ]
(1'S,2'S,3'S,4'S,5'R,6'R)-3'-O-methyl-5'-deoxy-5'-(benzotriazole-1-yl)-D-chiro-inositol
[ No CAS ]
17
[ 10284-63-6 ]
(1'S,2'S,3'S,4'S,5'R,6'R)-3'-O-methyl-5'-deoxy-5'-(6-nitroindazole-1-yl)-D-chiro-inositol
[ No CAS ]
18
[ 10284-63-6 ]
(1'S,2'S,3'S,4'S,5'R,6'R)-3'-O-methyl-5'-deoxy-5'-(5-nitroindazole-1-yl)-D-chiro-inositol
[ No CAS ]
19
[ 10284-63-6 ]
[ 908589-08-2 ]
20
[ 10284-63-6 ]
[ 908589-10-6 ]
21
[ 10284-63-6 ]
[ 18391-52-1 ]
22
[ 10284-63-6 ]
[ 769931-69-3 ]
23
[ 10284-63-6 ]
3-Phenyl-heptanoic acid (3aS,4S,5R,5aR,8aR,8bS)-5-methoxy-2,2,7,7-tetramethyl-hexahydro-benzo[1,2-d;3,4-d']bis[1,3]dioxol-4-yl ester
[ No CAS ]
24
[ 10284-63-6 ]
1-D-3-O-(3-phenyl-3-phenylthiopropanoyl)-4-O-methoxy-1,2:5,6-di-O-isopropylidene-chiro-inositol
[ No CAS ]
25
[ 10284-63-6 ]
[ 57783-98-9 ]
26
[ 10284-63-6 ]
[ 57783-99-0 ]
27
[ 10284-63-6 ]
[ 40617-59-2 ]
Reference:
[1]Carbohydrate Research,2004,vol. 339,p. 1857 - 1871
[2]Journal of the American Chemical Society,1990,vol. 112,p. 4528 - 4531
[3]Journal of the American Chemical Society,1990,vol. 112,p. 4528 - 4531
[4]Journal of the American Chemical Society,1952,vol. 74,p. 1479
28
[ 10284-63-6 ]
[ 19647-44-0 ]
Reference:
[1]Carbohydrate Research,2004,vol. 339,p. 1857 - 1871
[2]Journal of the American Chemical Society,1990,vol. 112,p. 4528 - 4531
[3]Journal of the American Chemical Society,1990,vol. 112,p. 4528 - 4531
[4]Journal of the American Chemical Society,1952,vol. 74,p. 1479
29
[ 10284-63-6 ]
(3aR,4S,5S,5aR,8aR,8bR)-4-Allyloxy-5-methoxy-2,2,7,7-tetramethyl-hexahydro-benzo[1,2-d;3,4-d']bis[1,3]dioxole
[ No CAS ]
30
[ 10284-63-6 ]
1D-1-O-(β-D-galactopyranosyl)-3,4-di-O-methyl-chiro-inisitol
[ No CAS ]
31
[ 10284-63-6 ]
4-O-(2-amino-2-deoxy-β-D-galactopyranosyl)-3-O-methyl-D-chiro-inositol
[ No CAS ]
32
[ 10284-63-6 ]
4-[2-deoxy-2-[[(2,2,2-trichloroethoxy)carbonyl]amino]-3,4,6-triacetyl-β-D-galactopyranosyl]-3-O-methyl-1,2:5,6-bis-O-(1-methylethylidene)-D-chiro-inositol
[ No CAS ]
33
[ 10284-63-6 ]
[ 434335-31-6 ]
34
[ 10284-63-6 ]
[ 434335-24-7 ]
35
[ 10284-63-6 ]
2-amino-2-deoxy-D-glucopyranosyl-β(1->6)-3-O-methyl-D-chiro-inositol
[ No CAS ]
36
[ 10284-63-6 ]
2-amino-2-deoxy-D-galactopyranosyl-β(1->6)-3-O-methyl-D-chiro-inositol
[ No CAS ]
37
[ 10284-63-6 ]
2-amino-2-deoxy-D-glucopyranosyl-α(1->6)-3-O-methyl-D-chiro-inositol
[ No CAS ]
38
[ 10284-63-6 ]
RGL1025
[ No CAS ]
39
[ 10284-63-6 ]
[ 371789-29-6 ]
40
[ 10284-63-6 ]
[ 371788-98-6 ]
41
[ 10284-63-6 ]
[ 372092-22-3 ]
42
[ 10284-63-6 ]
[ 372092-24-5 ]
43
[ 10284-63-6 ]
[ 434335-29-2 ]
44
[ 10284-63-6 ]
[ 434335-27-0 ]
45
[ 10284-63-6 ]
[ 434335-26-9 ]
46
[ 10284-63-6 ]
[ 434335-28-1 ]
47
[ 186382-59-2 ]
[ 10284-63-6 ]
48
[ 186382-61-6 ]
[ 10284-63-6 ]
49
(1S,2S,5S,6R)-5,6-Bis-benzyloxy-2-methoxy-3-tributylstannanyl-cyclohex-3-enol
[ No CAS ]
[ 10284-63-6 ]
50
Trifluoro-methanesulfonic acid (1R,2R,5S,6S)-5,6-bis-benzyloxy-2-methoxy-cyclohex-3-enyl ester
[ No CAS ]
[ 10284-63-6 ]
51
[ 186382-60-5 ]
[ 10284-63-6 ]
52
[ 130669-73-7 ]
[ 10284-63-6 ]
53
[ 130669-75-9 ]
[ 10284-63-6 ]
54
[ 130669-76-0 ]
[ 10284-63-6 ]
55
[ 137501-12-3 ]
[ 10284-63-6 ]
56
[ 17793-95-2 ]
[ 10284-63-6 ]
57
[ 125164-82-1 ]
[ 10284-63-6 ]
58
(1S,4R,5S,6R)-5,6-Bis-(tert-butyl-dimethyl-silanyloxy)-cyclohex-2-ene-1,4-diol
[ No CAS ]
[ 10284-63-6 ]
59
[ 125164-83-2 ]
[ 10284-63-6 ]
60
[ 71-43-2 ]
[ 10284-63-6 ]
61
[ 86504-06-5 ]
[ 10284-63-6 ]
62
[ 111015-72-6 ]
[ 10284-63-6 ]
63
[ 111015-71-5 ]
[ 10284-63-6 ]
64
[ 124647-08-1 ]
[ 10284-63-6 ]
65
[ 10284-63-6 ]
[ 78077-11-9 ]
66
[ 67451-62-1 ]
[ 10284-63-6 ]
67
[ 10284-63-6 ]
[ 56246-31-2 ]
68
[ 10284-63-6 ]
[ 127002-22-6 ]
69
[ 10284-63-6 ]
[ 58706-06-2 ]
70
[ 10284-63-6 ]
[ 120444-25-9 ]
71
[ 10284-63-6 ]
[ 127002-21-5 ]
72
[ 10284-63-6 ]
[ 6195-75-1 ]
73
[ 10284-63-6 ]
[ 2975-92-0 ]
74
[ 10284-63-6 ]
2-O-Methyl-(+)-cyclohexan-1,3/2,4-tetrol
[ No CAS ]
75
[ 1044736-09-5 ]
[ 10284-63-6 ]
76
[ 106-31-0 ]
[ 10284-63-6 ]
[ 1158415-00-9 ]
77
[ 10284-63-6 ]
[ 123-62-6 ]
[ 1158414-99-3 ]
78
[ 10284-63-6 ]
[ 93-97-0 ]
[ 73803-10-8 ]
79
[ 145107-28-4 ]
[ 10284-63-6 ]
80
[ 1195550-95-8 ]
[ 10284-63-6 ]
81
[ 261631-95-2 ]
[ 10284-63-6 ]
82
[ 4530-20-5 ]
[ 10284-63-6 ]
1,2,4,5,6-pentakis-O-(Boc-Gly)-3-O-methyl-D-chiro-inositol
[ No CAS ]
Yield Reaction Conditions Operation in experiment
75%
N-Boc-Gly (900 mg, 5.15 mmol) and 1,1'-carbonyldiimidazole 910 mg, 5.61 mmol) in acetonitrile (10 ml) and dissolved at room temperature in 10 minutes, D-<strong>[10284-63-6]pinitol</strong> It was added (100 mg, 0.51 mmol) and triethylamine (4.3 ml, 30.85 mmol) in turn, which was stirred for 3 days at 60 C. Washed the concentration of the solvent under reduced pressure, and the residue was extracted with ethyl acetate and saturated aqueous sodium bicarbonate solution and then the organic layer with a saturated aqueous sodium chloride solution. Concentrating the solvent under reduced pressure after dried over anhydrous sodium sulfate and purified by column chromatography of the residue (dichloromethane: methanol = 10: 1) afforded the title compound: to obtain a (380 mg, reaction yield 75%, white solid).
83
[ 10284-63-6 ]
1,6-bis-O-[(isopropyloxy)carbonyl]oxy}methyl-4-O-benzyl-3-O-methyl-D-chiro-inositol
[ No CAS ]
84
[ 10284-63-6 ]
4-O-(Cbz-Val)-3-O-methyl-D-chiro-inositol
[ No CAS ]
85
[ 10284-63-6 ]
4-O-(Cbz-Val)-3-O-methyl-1-O-(pivaloyloxy)methyl-D-chiro-inositol
[ No CAS ]
4-O-(Cbz-Val)-3-O-methyl-6-O-(pivaloyloxy)methyl-D-chiro-inositol
[ No CAS ]