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[ CAS No. 10284-63-6 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 10284-63-6
Chemical Structure| 10284-63-6
Chemical Structure| 10284-63-6
Structure of 10284-63-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 10284-63-6 ]

CAS No. :10284-63-6 MDL No. :MFCD00216659
Formula : C7H14O6 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
Chemical Name :(1R,2S,3R,4S,5S,6S)-6-Methoxycyclohexane-1,2,3,4,5-pentaol

Calculated chemistry of [ 10284-63-6 ]      Expand+

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

Safety of [ 10284-63-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338-P310 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

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 ]

[ 10284-63-6 ] Synthesis Path-Downstream   1~97

  • 3
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  • 6
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  • D-galacturonic acid [ No CAS ]
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  • D-galacturonic acid [ No CAS ]
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  • deruterised chiro inositol [ No CAS ]
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  • 16
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  • (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 ]
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  • 22
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  • [ 769931-69-3 ]
  • 23
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  • 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 ]
  • 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
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  • [ 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 ]
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  • [ 10284-63-6 ]
  • RGL1025 [ No CAS ]
  • 39
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  • [ 371789-29-6 ]
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  • 47
  • [ 186382-59-2 ]
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  • 48
  • [ 186382-61-6 ]
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  • 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 ]
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  • 51
  • [ 186382-60-5 ]
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  • 57
  • [ 125164-82-1 ]
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  • 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 ]
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  • 60
  • [ 71-43-2 ]
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  • 61
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  • 63
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  • 64
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  • 65
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  • [ 78077-11-9 ]
  • 66
  • [ 67451-62-1 ]
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  • 67
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  • 69
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  • 71
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  • [ 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 ]
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  • 76
  • [ 106-31-0 ]
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  • 77
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  • 78
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  • 79
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  • 80
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  • 81
  • [ 261631-95-2 ]
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  • 82
  • [ 4530-20-5 ]
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  • 1,2,4,5,6-pentakis-O-(Boc-Gly)-3-O-methyl-D-chiro-inositol [ No CAS ]
YieldReaction ConditionsOperation 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 ]
  • 86
  • [ 10284-63-6 ]
  • 4-O-(2-aminoethylcarbamoyl)-3-O-methyl-D-chiro-inositol trifluoroacetate [ No CAS ]
  • 87
  • [ 10284-63-6 ]
  • 4-O-[(2,2-dimethylpropionyloxy)methyl]-3-O-methyl-D-chiro-inositol [ No CAS ]
  • 88
  • [ 10284-63-6 ]
  • 3-O-methyl-4-O-phosphoryl-D-chioro-inositol [ No CAS ]
  • 89
  • [ 10284-63-6 ]
  • 4-O-[(dipivaloyloxymethoxy)phosphoryl]-3-O-methyl-D-chiro-inositol [ No CAS ]
  • 90
  • [ 10284-63-6 ]
  • 2,5-bis-O-pivaloyl-3-O-methyl-D-chiro-inositol [ No CAS ]
  • 91
  • [ 10284-63-6 ]
  • 3-O-methyl-1,6-bis-O-[(isopropyloxy)carbonyl]oxy}methyl-D-chiro-inositol [ No CAS ]
  • 92
  • [ 10284-63-6 ]
  • 3-O-methyl-4-O-Val-1-O-(pivaloyloxy)methyl-D-chiro-inositol [ No CAS ]
  • 3-O-methyl-4-O-Val-6-O-(pivaloyloxy)methyl-D-chiro-inositol [ No CAS ]
  • 93
  • [ 10284-63-6 ]
  • 1,2:5,6-bis-O-(1-methylethylidene)-4-O-(ethoxycarbonyl)-3-O-methyl-D-chiro-inositol [ No CAS ]
  • 94
  • [ 10284-63-6 ]
  • 1,2:5,6-bis-O-(1-methylethylidene)-4-O-(2-aminoethylcarbamoyl)-3-O-methyl-D-chiro-inositol [ No CAS ]
  • 95
  • [ 10284-63-6 ]
  • 1,2:5,6-bis-O-(1-methylethylidene)-4-O-(Boc-Val)-3-O-methyl-D-chiro-inositol [ No CAS ]
  • 96
  • [ 10284-63-6 ]
  • 1,2:5,6-bis-O-(1-methylethylidene)-4-O-(Cbz-Val)-3-O-methyl-D-chiro-inositol [ No CAS ]
  • 97
  • [ 10284-63-6 ]
  • 1,2:5,6-bis-O-(1-methylethylidene)-4-O-Val-3-O-methyl-D-chiro-inositol [ No CAS ]
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